6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine

C11H13N7S — CID 167789503

IUPAC6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine
SMILESCc1ncsc1CCNc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C11H13N7S/c1-6-7(19-5-16-6)2-3-13-9-8-10(15-4-14-8)18-11(12)17-9/h4-5H,2-3H2,1H3,(H4,12,13,14,15,17,18)
InChIKeySUZBAXXJCAGUON-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.35
Rot. Bonds4

About 6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine

6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine (PubChem CID 167789503) has the molecular formula C11H13N7S and a molecular weight of 275.34 g/mol. Its IUPAC name is 6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine
PubChem CID167789503
Molecular FormulaC11H13N7S
Molecular Weight275.34 g/mol
Exact Mass275.10
IUPAC Name6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine
SMILESCc1ncsc1CCNc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C11H13N7S/c1-6-7(19-5-16-6)2-3-13-9-8-10(15-4-14-8)18-11(12)17-9/h4-5H,2-3H2,1H3,(H4,12,13,14,15,17,18)
InChIKeySUZBAXXJCAGUON-UHFFFAOYSA-N
XLogP1.35
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-propyl-7H-purine-2,6-diamine
CID 22916641
6-N-methyl-6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine
CID 134697238
6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine
CID 39377702
4-[2-[(2-amino-7H-purin-6-yl)amino]ethyl]phenol
CID 104623404
6-N-[2-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine
CID 104623341
6-N-(3-methoxypropyl)-7H-purine-2,6-diamine
CID 115669328
6-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-7H-purine-2,6-diamine
CID 114784347
5-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol
CID 107269141
3-[(2-amino-7H-purin-6-yl)amino]propanamide
CID 114783932
2-[(2-amino-7H-purin-6-yl)amino]acetamide
CID 114783660
6-N-[2-(4-methylpiperazin-1-yl)ethyl]-7H-purine-2,6-diamine
CID 104623212
6-N-(2,3-dimethylbutyl)-7H-purine-2,6-diamine
CID 104623745

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine?
The IUPAC name of 6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine (CID 167789503) is 6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine is Cc1ncsc1CCNc1nc(N)nc2nc[nH]c12.
What is the InChIKey of 6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine?
The InChIKey is SUZBAXXJCAGUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7S/c1-6-7(19-5-16-6)2-3-13-9-8-10(15-4-14-8)18-11(12)17-9/h4-5H,2-3H2,1H3,(H4,12,13,14,15,17,18).
What are the key properties of 6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine?
6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine has a molecular weight of 275.34 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 167789503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).