6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-7H-purin-2-amine

C12H15N7S — CID 114788229

IUPAC6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-7H-purin-2-amine
SMILESCCCNc1nc(Sc2nccn2C)c2[nH]cnc2n1
InChIInChI=1S/C12H15N7S/c1-3-4-13-11-17-9-8(15-7-16-9)10(18-11)20-12-14-5-6-19(12)2/h5-7H,3-4H2,1-2H3,(H2,13,15,16,17,18)
InChIKeyKMUNATFJSLBQDS-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.06
Rot. Bonds5

About 6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-7H-purin-2-amine

6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-7H-purin-2-amine (PubChem CID 114788229) has the molecular formula C12H15N7S and a molecular weight of 289.37 g/mol. Its IUPAC name is 6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-7H-purin-2-amine.

Molecular Properties

Compound Name6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-7H-purin-2-amine
PubChem CID114788229
Molecular FormulaC12H15N7S
Molecular Weight289.37 g/mol
Exact Mass289.11
IUPAC Name6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-7H-purin-2-amine
SMILESCCCNc1nc(Sc2nccn2C)c2[nH]cnc2n1
InChIInChI=1S/C12H15N7S/c1-3-4-13-11-17-9-8(15-7-16-9)10(18-11)20-12-14-5-6-19(12)2/h5-7H,3-4H2,1-2H3,(H2,13,15,16,17,18)
InChIKeyKMUNATFJSLBQDS-UHFFFAOYSA-N
XLogP2.06
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-7H-purin-2-amine
CID 114788474
2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634
6-N-methyl-6-N-(2-methylsulfanylethyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114786012
6-N-(cyclopropylmethyl)-6-N-methyl-2-N-propyl-7H-purine-2,6-diamine
CID 114784058
6-N-(2-methylbutan-2-yl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783401
6-N-(2,2-dimethylpropyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114784070
6-N-methyl-6-N-(2-methylbutyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783815
6-propan-2-yloxy-N-propyl-7H-purin-2-amine
CID 114786891
6-N-(2-methylpropyl)-6-N-propan-2-yl-2-N-propyl-7H-purine-2,6-diamine
CID 114784631
6-N-(2-methoxyethyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783641
6-N-(1-methylcyclopentyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114785405
2-cyclopropyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-4-amine
CID 80990773

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-7H-purin-2-amine?
The IUPAC name of 6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-7H-purin-2-amine (CID 114788229) is 6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-7H-purin-2-amine.
What is the SMILES notation for 6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-7H-purin-2-amine?
The canonical SMILES for 6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-7H-purin-2-amine is CCCNc1nc(Sc2nccn2C)c2[nH]cnc2n1.
What is the InChIKey of 6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-7H-purin-2-amine?
The InChIKey is KMUNATFJSLBQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7S/c1-3-4-13-11-17-9-8(15-7-16-9)10(18-11)20-12-14-5-6-19(12)2/h5-7H,3-4H2,1-2H3,(H2,13,15,16,17,18).
What are the key properties of 6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-7H-purin-2-amine?
6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-7H-purin-2-amine has a molecular weight of 289.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-7H-purin-2-amine is sourced from PubChem (CID 114788229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).