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CAS 100644-67-5 4-METHOXY-1H-PYRAZOLO[3,4-D]PYRIMIDIN-6-AMINE molecular structure lightbox
CAS RN: 100644-67-5

4-METHOXY-1H-PYRAZOLO[3,4-D]PYRIMIDIN-6-AMINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260221 20mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS100644-67-5
  • Purity/Analytical Methods: >99.0%
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100644-67-5 / 4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine

4-Methoxy-1H-pyrazolo[3,4-d]pyrimidin-6-amine | 1H-Pyrazolo[3,4-d]pyrimidin-6-amine, 4-methoxy- | MFCD09264064

Standard CAS: 100644-67-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
100644-67-5
Multi CAS
No
Molecular Formula
C6H7N5O
Molecular Weight
165.150000
Exact Mass
165.065060
SMILES
COC1=NC(=NC2=C1C=NN2)N
InChI
InChI=1S/C6H7N5O/c1-12-5-3-2-8-11-4(3)9-6(7)10-5/h2H,1H3,(H3,7,8,9,10,11)
InChIKey
JGSDDGDWMGPLPH-UHFFFAOYSA-N
Synonyms
4-Methoxy-1H-pyrazolo[3,4-d]pyrimidin-6-amine 1H-Pyrazolo[3,4-d]pyrimidin-6-amine, 4-methoxy- MFCD09264064 6-amino-4-methoxypyrazolo[3,4-d]pyrimidine orb1907985

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
42.65
TPSA
89.71

LogP / Solubility

WLOGP
-0.06
MLOGP
-0.05
XLogP3
0.1
Consensus LogP
0.0000
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-0.87
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.81
Class (SILICOS-IT)
Very 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)
-3.77

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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