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CAS 1023815-68-0 2-Amino-4-hydroxy-pyrimidine-5-carboxylic acid methyl ester molecular structure lightbox
CAS RN: 1023815-68-0

2-Amino-4-hydroxy-pyrimidine-5-carboxylic acid methyl ester

  • Product code: SSC-003658
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1023815-68-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 0 Out of Stock Hong Kong Inquiry
0.25g ≥97% 0 Out of Stock Beijing Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

1023815-68-0 / methyl 2-amino-6-oxo-1H-pyrimidine-5-carboxylate

Methyl 2-amino-4-hydroxypyrimidine-5-carboxylate | methyl 2-amino-6-oxo-1,6-dihydropyrimidine-5-carboxylate | methyl 2-amino-6-oxo-1H-pyrimidine-5-carboxylate

Standard CAS: 1023815-68-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1023815-68-0
Multi CAS
Yes
Molecular Formula
C6H7N3O3
Molecular Weight
169.140000
Exact Mass
169.048741
SMILES
COC(=O)C1=CN=C(NC1=O)N
InChI
InChI=1S/C6H7N3O3/c1-12-5(11)3-2-8-6(7)9-4(3)10/h2H,1H3,(H3,7,8,9,10)
InChIKey
HVGNQYYQFALNSN-UHFFFAOYSA-N
Synonyms
Methyl 2-amino-4-hydroxypyrimidine-5-carboxylate methyl 2-amino-6-oxo-1,6-dihydropyrimidine-5-carboxylate methyl 2-amino-6-oxo-1H-pyrimidine-5-carboxylate MFCD09880930 SCHEMBL10995891

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
40.61
TPSA
98.07

LogP / Solubility

WLOGP
-0.86
MLOGP
-0.76
XLogP3
-1.2
Consensus LogP
-0.94
Log S (ESOL)
-0.65
Class (ESOL)
Very soluble
Log S (Ali)
-0.33
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.16
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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