N-[(4-aminopyrimidin-2-yl)methyl]-[1,3]thiazolo[4,5-b]pyrazin-2-amine

C10H9N7S — CID 167754933

IUPACN-[(4-aminopyrimidin-2-yl)methyl]-[1,3]thiazolo[4,5-b]pyrazin-2-amine
SMILESNc1ccnc(CNc2nc3nccnc3s2)n1
InChIInChI=1S/C10H9N7S/c11-6-1-2-12-7(16-6)5-15-10-17-8-9(18-10)14-4-3-13-8/h1-4H,5H2,(H2,11,12,16)(H,13,15,17)
InChIKeySCMKFNRZSJWFQB-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.07
Rot. Bonds3

About N-[(4-aminopyrimidin-2-yl)methyl]-[1,3]thiazolo[4,5-b]pyrazin-2-amine

N-[(4-aminopyrimidin-2-yl)methyl]-[1,3]thiazolo[4,5-b]pyrazin-2-amine (PubChem CID 167754933) has the molecular formula C10H9N7S and a molecular weight of 259.30 g/mol. Its IUPAC name is N-[(4-aminopyrimidin-2-yl)methyl]-[1,3]thiazolo[4,5-b]pyrazin-2-amine.

Molecular Properties

Compound NameN-[(4-aminopyrimidin-2-yl)methyl]-[1,3]thiazolo[4,5-b]pyrazin-2-amine
PubChem CID167754933
Molecular FormulaC10H9N7S
Molecular Weight259.30 g/mol
Exact Mass259.06
IUPAC NameN-[(4-aminopyrimidin-2-yl)methyl]-[1,3]thiazolo[4,5-b]pyrazin-2-amine
SMILESNc1ccnc(CNc2nc3nccnc3s2)n1
InChIInChI=1S/C10H9N7S/c11-6-1-2-12-7(16-6)5-15-10-17-8-9(18-10)14-4-3-13-8/h1-4H,5H2,(H2,11,12,16)(H,13,15,17)
InChIKeySCMKFNRZSJWFQB-UHFFFAOYSA-N
XLogP1.07
TPSA102.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(4-aminopyrimidin-2-yl)methyl]-[1,3]thiazolo[4,5-b]pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminopyrimidin-2-yl)methyl]-[1,3]thiazolo[4,5-b]pyrazin-2-amine?
The IUPAC name of N-[(4-aminopyrimidin-2-yl)methyl]-[1,3]thiazolo[4,5-b]pyrazin-2-amine (CID 167754933) is N-[(4-aminopyrimidin-2-yl)methyl]-[1,3]thiazolo[4,5-b]pyrazin-2-amine.
What is the SMILES notation for N-[(4-aminopyrimidin-2-yl)methyl]-[1,3]thiazolo[4,5-b]pyrazin-2-amine?
The canonical SMILES for N-[(4-aminopyrimidin-2-yl)methyl]-[1,3]thiazolo[4,5-b]pyrazin-2-amine is Nc1ccnc(CNc2nc3nccnc3s2)n1.
What is the InChIKey of N-[(4-aminopyrimidin-2-yl)methyl]-[1,3]thiazolo[4,5-b]pyrazin-2-amine?
The InChIKey is SCMKFNRZSJWFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N7S/c11-6-1-2-12-7(16-6)5-15-10-17-8-9(18-10)14-4-3-13-8/h1-4H,5H2,(H2,11,12,16)(H,13,15,17).
What are the key properties of N-[(4-aminopyrimidin-2-yl)methyl]-[1,3]thiazolo[4,5-b]pyrazin-2-amine?
N-[(4-aminopyrimidin-2-yl)methyl]-[1,3]thiazolo[4,5-b]pyrazin-2-amine has a molecular weight of 259.30 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminopyrimidin-2-yl)methyl]-[1,3]thiazolo[4,5-b]pyrazin-2-amine is sourced from PubChem (CID 167754933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).