6-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-7H-purine-2,6-diamine

C10H11N7S — CID 114784347

IUPAC6-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-7H-purine-2,6-diamine
SMILESCc1csc(CNc2nc(N)nc3nc[nH]c23)n1
InChIInChI=1S/C10H11N7S/c1-5-3-18-6(15-5)2-12-8-7-9(14-4-13-7)17-10(11)16-8/h3-4H,2H2,1H3,(H4,11,12,13,14,16,17)
InChIKeyHFTMNZQNEJXKJZ-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.31
Rot. Bonds3

About 6-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-7H-purine-2,6-diamine

6-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-7H-purine-2,6-diamine (PubChem CID 114784347) has the molecular formula C10H11N7S and a molecular weight of 261.31 g/mol. Its IUPAC name is 6-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-7H-purine-2,6-diamine
PubChem CID114784347
Molecular FormulaC10H11N7S
Molecular Weight261.31 g/mol
Exact Mass261.08
IUPAC Name6-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-7H-purine-2,6-diamine
SMILESCc1csc(CNc2nc(N)nc3nc[nH]c23)n1
InChIInChI=1S/C10H11N7S/c1-5-3-18-6(15-5)2-12-8-7-9(14-4-13-7)17-10(11)16-8/h3-4H,2H2,1H3,(H4,11,12,13,14,16,17)
InChIKeyHFTMNZQNEJXKJZ-UHFFFAOYSA-N
XLogP1.31
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-[(6-methyl-3-pyridinyl)methyl]-7H-purine-2,6-diamine
CID 104623346
6-N-[(2-methylphenyl)methyl]-7H-purine-2,6-diamine
CID 86271615
6-N-propyl-7H-purine-2,6-diamine
CID 22916641
6-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-7H-purine-2,6-diamine
CID 113434107
2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine
CID 114785145
4-[[(2-amino-7H-purin-6-yl)amino]methyl]phenol
CID 86271711
6-N-(2,3-dimethylbutyl)-7H-purine-2,6-diamine
CID 104623745
6-N-tert-butyl-7H-purine-2,6-diamine
CID 114783406
5-bromo-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136974472
4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]quinazoline-2,4-diamine
CID 80807558
2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine
CID 134480963
6-N-[(1,4,6-trimethyl-2H-pyridin-3-yl)methyl]-7H-purine-2,6-diamine
CID 170075108

Frequently Asked Questions

What is the IUPAC name of 6-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-7H-purine-2,6-diamine?
The IUPAC name of 6-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-7H-purine-2,6-diamine (CID 114784347) is 6-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-7H-purine-2,6-diamine is Cc1csc(CNc2nc(N)nc3nc[nH]c23)n1.
What is the InChIKey of 6-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-7H-purine-2,6-diamine?
The InChIKey is HFTMNZQNEJXKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7S/c1-5-3-18-6(15-5)2-12-8-7-9(14-4-13-7)17-10(11)16-8/h3-4H,2H2,1H3,(H4,11,12,13,14,16,17).
What are the key properties of 6-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-7H-purine-2,6-diamine?
6-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-7H-purine-2,6-diamine has a molecular weight of 261.31 g/mol, XLogP of 1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 114784347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).