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

C12H15N7S — CID 134697238

IUPAC6-N-methyl-6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine
SMILESCc1ncsc1CCN(C)c1nc(N)nc2nc[nH]c12
InChIInChI=1S/C12H15N7S/c1-7-8(20-6-16-7)3-4-19(2)11-9-10(15-5-14-9)17-12(13)18-11/h5-6H,3-4H2,1-2H3,(H3,13,14,15,17,18)
InChIKeyBTAJOZITHMWLPB-UHFFFAOYSA-N
MW289.37 g/mol
LogP1.38
Rot. Bonds4

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

6-N-methyl-6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine (PubChem CID 134697238) has the molecular formula C12H15N7S and a molecular weight of 289.37 g/mol. Its IUPAC name is 6-N-methyl-6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-methyl-6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine
PubChem CID134697238
Molecular FormulaC12H15N7S
Molecular Weight289.37 g/mol
Exact Mass289.11
IUPAC Name6-N-methyl-6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine
SMILESCc1ncsc1CCN(C)c1nc(N)nc2nc[nH]c12
InChIInChI=1S/C12H15N7S/c1-7-8(20-6-16-7)3-4-19(2)11-9-10(15-5-14-9)17-12(13)18-11/h5-6H,3-4H2,1-2H3,(H3,13,14,15,17,18)
InChIKeyBTAJOZITHMWLPB-UHFFFAOYSA-N
XLogP1.38
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-methyl-6-N-(2-phenylethyl)-7H-purine-2,6-diamine
CID 44776717
6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine
CID 167789503
6-N-(2-ethoxyethyl)-6-N-methyl-7H-purine-2,6-diamine
CID 104623920
2-N-ethyl-6-N-methyl-6-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-7H-purine-2,6-diamine
CID 114785264
2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-dimethylacetamide
CID 115669355
6-N-[(5-chlorothiophen-2-yl)methyl]-6-N-methyl-7H-purine-2,6-diamine
CID 115669357
2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-diethylacetamide
CID 115669354
6-N-[(2-fluorophenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine
CID 104623147
6-(3-aminocyclobutyl)-4-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine
CID 91791117
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
2-N,4-N,4-N-trimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80839437
2-N-ethyl-6-N-methyl-6-N-(2-thiophen-2-ylethyl)-7H-purine-2,6-diamine
CID 114785619

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine?
The IUPAC name of 6-N-methyl-6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine (CID 134697238) is 6-N-methyl-6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-methyl-6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-methyl-6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine is Cc1ncsc1CCN(C)c1nc(N)nc2nc[nH]c12.
What is the InChIKey of 6-N-methyl-6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine?
The InChIKey is BTAJOZITHMWLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7S/c1-7-8(20-6-16-7)3-4-19(2)11-9-10(15-5-14-9)17-12(13)18-11/h5-6H,3-4H2,1-2H3,(H3,13,14,15,17,18).
What are the key properties of 6-N-methyl-6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine?
6-N-methyl-6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine has a molecular weight of 289.37 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-6-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 134697238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).