N-methyl-6-propan-2-ylsulfanyl-7H-purin-2-amine

C9H13N5S — CID 114788291

IUPACN-methyl-6-propan-2-ylsulfanyl-7H-purin-2-amine
SMILESCNc1nc(SC(C)C)c2[nH]cnc2n1
InChIInChI=1S/C9H13N5S/c1-5(2)15-8-6-7(12-4-11-6)13-9(10-3)14-8/h4-5H,1-3H3,(H2,10,11,12,13,14)
InChIKeySSGSFFBCTXNLMZ-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.90
Rot. Bonds3

About N-methyl-6-propan-2-ylsulfanyl-7H-purin-2-amine

N-methyl-6-propan-2-ylsulfanyl-7H-purin-2-amine (PubChem CID 114788291) has the molecular formula C9H13N5S and a molecular weight of 223.30 g/mol. Its IUPAC name is N-methyl-6-propan-2-ylsulfanyl-7H-purin-2-amine.

Molecular Properties

Compound NameN-methyl-6-propan-2-ylsulfanyl-7H-purin-2-amine
PubChem CID114788291
Molecular FormulaC9H13N5S
Molecular Weight223.30 g/mol
Exact Mass223.09
IUPAC NameN-methyl-6-propan-2-ylsulfanyl-7H-purin-2-amine
SMILESCNc1nc(SC(C)C)c2[nH]cnc2n1
InChIInChI=1S/C9H13N5S/c1-5(2)15-8-6-7(12-4-11-6)13-9(10-3)14-8/h4-5H,1-3H3,(H2,10,11,12,13,14)
InChIKeySSGSFFBCTXNLMZ-UHFFFAOYSA-N
XLogP1.90
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(methylamino)-7H-purin-6-yl]sulfanyl]ethanol
CID 114788274
3-[[2-(methylamino)-7H-purin-6-yl]sulfanyl]-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 114788345
N-methyl-6-pyrazin-2-ylsulfanyl-7H-purin-2-amine
CID 114788385
6-(cyclopentylmethylsulfanyl)-N-methyl-7H-purin-2-amine
CID 114788381
6-[(3,5-dimethylphenyl)methylsulfanyl]-N-methyl-7H-purin-2-amine
CID 114788452
2-N-methyl-6-N-(1-piperidin-1-ylpropan-2-yl)-7H-purine-2,6-diamine
CID 114784296
3-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butanamide
CID 106347511
6-(azocan-1-yl)-N-methyl-7H-purin-2-amine
CID 114783608
2-methyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propan-1-ol
CID 114785428
6-N,6-N-diethyl-2-N-methyl-7H-purine-2,6-diamine
CID 114783569
2-N-methyl-6-N-(1-thiophen-3-ylethyl)-7H-purine-2,6-diamine
CID 114785052
2-N-methyl-6-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine
CID 114786061

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-propan-2-ylsulfanyl-7H-purin-2-amine?
The IUPAC name of N-methyl-6-propan-2-ylsulfanyl-7H-purin-2-amine (CID 114788291) is N-methyl-6-propan-2-ylsulfanyl-7H-purin-2-amine.
What is the SMILES notation for N-methyl-6-propan-2-ylsulfanyl-7H-purin-2-amine?
The canonical SMILES for N-methyl-6-propan-2-ylsulfanyl-7H-purin-2-amine is CNc1nc(SC(C)C)c2[nH]cnc2n1.
What is the InChIKey of N-methyl-6-propan-2-ylsulfanyl-7H-purin-2-amine?
The InChIKey is SSGSFFBCTXNLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-5(2)15-8-6-7(12-4-11-6)13-9(10-3)14-8/h4-5H,1-3H3,(H2,10,11,12,13,14).
What are the key properties of N-methyl-6-propan-2-ylsulfanyl-7H-purin-2-amine?
N-methyl-6-propan-2-ylsulfanyl-7H-purin-2-amine has a molecular weight of 223.30 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-propan-2-ylsulfanyl-7H-purin-2-amine is sourced from PubChem (CID 114788291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).