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CAS 40497-31-2 2-Aminopyrimidine-4,6-diol molecular structure lightbox
CAS RN: 40497-31-2

2-Aminopyrimidine-4,6-diol

Product Availability

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6 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260101 100g In stock Shanghai, Tianjin Inquiry
Batchno.20260209 10g Out of stock Inquiry
Batchno.20260501 1kg Out of stock Inquiry
Batchno.20260209 25g Out of stock Inquiry
Batchno.20260206 500g In stock Shanghai, Shenzhen Inquiry
Batchno.20260114 5g In stock Tianjin Inquiry
  • Product code: LINA899751
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40497-31-2 / 2-amino-4-hydroxy-1H-pyrimidin-6-one

Standard CAS: 40497-31-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
40497-31-2
Multi CAS
Yes
Molecular Formula
C4H5N3O2
Molecular Weight
127.100000
Exact Mass
127.038176
InChI
InChI=1S/C4H5N3O2/c5-4-6-2(8)1-3(9)7-4/h1H,(H4,5,6,7,8,9)
InChIKey
AUFJTVGCSJNQIF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
30.93
TPSA
92

LogP / Solubility

WLOGP
-0.94
MLOGP
-0.84
XLogP3
-1.4
Consensus LogP
-1.06
Log S (ESOL)
-0.53
Class (ESOL)
Very soluble
Log S (Ali)
0.08
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.3
Class (SILICOS-IT)
Highly 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)
-4.16

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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