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

C12H15N7S — CID 114786061

IUPAC2-N-methyl-6-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine
SMILESCNc1nc(NC(C)c2ncc(C)s2)c2[nH]cnc2n1
InChIInChI=1S/C12H15N7S/c1-6-4-14-11(20-6)7(2)17-10-8-9(16-5-15-8)18-12(13-3)19-10/h4-5,7H,1-3H3,(H3,13,15,16,17,18,19)
InChIKeyOBHAKONPAYCIQH-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.33
Rot. Bonds4

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

2-N-methyl-6-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine (PubChem CID 114786061) has the molecular formula C12H15N7S and a molecular weight of 289.37 g/mol. Its IUPAC name is 2-N-methyl-6-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-6-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine
PubChem CID114786061
Molecular FormulaC12H15N7S
Molecular Weight289.37 g/mol
Exact Mass289.11
IUPAC Name2-N-methyl-6-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine
SMILESCNc1nc(NC(C)c2ncc(C)s2)c2[nH]cnc2n1
InChIInChI=1S/C12H15N7S/c1-6-4-14-11(20-6)7(2)17-10-8-9(16-5-15-8)18-12(13-3)19-10/h4-5,7H,1-3H3,(H3,13,15,16,17,18,19)
InChIKeyOBHAKONPAYCIQH-UHFFFAOYSA-N
XLogP2.33
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-ethyl-6-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine
CID 114786059
6-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-methyl-7H-purine-2,6-diamine
CID 114784241
2-N-methyl-6-N-(1-thiophen-3-ylethyl)-7H-purine-2,6-diamine
CID 114785052
3-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butanamide
CID 106347511
2-N-methyl-6-N-(1-piperidin-1-ylpropan-2-yl)-7H-purine-2,6-diamine
CID 114784296
N-methyl-6-propan-2-ylsulfanyl-7H-purin-2-amine
CID 114788291
2-methyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propan-1-ol
CID 114785428
2-[[2-(methylamino)-7H-purin-6-yl]amino]-2-phenylethanol
CID 114785129
N-(2-methoxyethyl)-2-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide
CID 114786133
2-N-methyl-6-N-(2-methylphenyl)-7H-purine-2,6-diamine
CID 114783343
2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-7H-purin-6-amine
CID 104697586
6-chloro-2,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 113387490

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine?
The IUPAC name of 2-N-methyl-6-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine (CID 114786061) is 2-N-methyl-6-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-methyl-6-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-methyl-6-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine is CNc1nc(NC(C)c2ncc(C)s2)c2[nH]cnc2n1.
What is the InChIKey of 2-N-methyl-6-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine?
The InChIKey is OBHAKONPAYCIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7S/c1-6-4-14-11(20-6)7(2)17-10-8-9(16-5-15-8)18-12(13-3)19-10/h4-5,7H,1-3H3,(H3,13,15,16,17,18,19).
What are the key properties of 2-N-methyl-6-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine?
2-N-methyl-6-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine has a molecular weight of 289.37 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 114786061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).