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CAS 1126320-49-7 methyl 6-amino-2-chloro-5-methoxypyrimidine-4-carboxylate molecular structure lightbox
CAS RN: 1126320-49-7

methyl 6-amino-2-chloro-5-methoxypyrimidine-4-carboxylate

  • Product code: SSC-012972
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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: 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 1126320-49-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1126320-49-7 / methyl 6-amino-2-chloro-5-methoxypyrimidine-4-carboxylate

methyl 6-amino-2-chloro-5-methoxypyrimidine-4-carboxylate | MFCD16652305 | methyl 6-amino-2-chloro-5-methoxy-pyrimidine-4-carboxylate

Standard CAS: 1126320-49-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1126320-49-7
Multi CAS
No
Molecular Formula
C7H8ClN3O3
Molecular Weight
217.610000
Exact Mass
217.025419
SMILES
COC1=C(N=C(N=C1N)Cl)C(=O)OC
InChI
InChI=1S/C7H8ClN3O3/c1-13-4-3(6(12)14-2)10-7(8)11-5(4)9/h1-2H3,(H2,9,10,11)
InChIKey
VHXVXHHVPQJMFM-UHFFFAOYSA-N
Synonyms
methyl 6-amino-2-chloro-5-methoxypyrimidine-4-carboxylate MFCD16652305 methyl 6-amino-2-chloro-5-methoxy-pyrimidine-4-carboxylate SCHEMBL1397019 VHXVXHHVPQJMFM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
49.35
TPSA
87.33

LogP / Solubility

WLOGP
0.51
MLOGP
0.45
XLogP3
1
Consensus LogP
0.65
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-3.69

Drug-likeness / Medicinal Chemistry

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

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