1-methyl-N-(3-methylsulfanylbutyl)imidazo[4,5-c]pyridin-4-amine

C12H18N4S — CID 103385824

IUPAC1-methyl-N-(3-methylsulfanylbutyl)imidazo[4,5-c]pyridin-4-amine
SMILESCSC(C)CCNc1nccc2c1ncn2C
InChIInChI=1S/C12H18N4S/c1-9(17-3)4-6-13-12-11-10(5-7-14-12)16(2)8-15-11/h5,7-9H,4,6H2,1-3H3,(H,13,14)
InChIKeyRMJRLLGGHIKLPV-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.52
Rot. Bonds5

About 1-methyl-N-(3-methylsulfanylbutyl)imidazo[4,5-c]pyridin-4-amine

1-methyl-N-(3-methylsulfanylbutyl)imidazo[4,5-c]pyridin-4-amine (PubChem CID 103385824) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 1-methyl-N-(3-methylsulfanylbutyl)imidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(3-methylsulfanylbutyl)imidazo[4,5-c]pyridin-4-amine
PubChem CID103385824
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name1-methyl-N-(3-methylsulfanylbutyl)imidazo[4,5-c]pyridin-4-amine
SMILESCSC(C)CCNc1nccc2c1ncn2C
InChIInChI=1S/C12H18N4S/c1-9(17-3)4-6-13-12-11-10(5-7-14-12)16(2)8-15-11/h5,7-9H,4,6H2,1-3H3,(H,13,14)
InChIKeyRMJRLLGGHIKLPV-UHFFFAOYSA-N
XLogP2.52
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-c]pyridin-4-amine
CID 103385628
4-methyl-6-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]hexanoic acid
CID 103385090
1-methyl-N-(2-methylbutyl)imidazo[4,5-c]pyridin-4-amine
CID 103385588
3-methyl-1-N-(1-methylimidazo[4,5-c]pyridin-4-yl)butane-1,2-diamine
CID 103386011
1-methyl-N-pent-4-ynylimidazo[4,5-c]pyridin-4-amine
CID 106222435
N-(3-methoxy-2-methylpropyl)-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103385555
1-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazo[4,5-c]pyridin-4-amine
CID 103385548
1-methyl-N-(2-phenylpropyl)imidazo[4,5-c]pyridin-4-amine
CID 103385789
1-methyl-N-(2-methylbutan-2-yl)imidazo[4,5-c]pyridin-4-amine
CID 103385802
1-methyl-N-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-c]pyridin-4-amine
CID 114169666
N-benzyl-1-methylimidazo[4,5-c]pyridin-4-amine
CID 1400630
N-(2-cyclopentyloxyethyl)-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103385619

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methylsulfanylbutyl)imidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 1-methyl-N-(3-methylsulfanylbutyl)imidazo[4,5-c]pyridin-4-amine (CID 103385824) is 1-methyl-N-(3-methylsulfanylbutyl)imidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 1-methyl-N-(3-methylsulfanylbutyl)imidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 1-methyl-N-(3-methylsulfanylbutyl)imidazo[4,5-c]pyridin-4-amine is CSC(C)CCNc1nccc2c1ncn2C.
What is the InChIKey of 1-methyl-N-(3-methylsulfanylbutyl)imidazo[4,5-c]pyridin-4-amine?
The InChIKey is RMJRLLGGHIKLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-9(17-3)4-6-13-12-11-10(5-7-14-12)16(2)8-15-11/h5,7-9H,4,6H2,1-3H3,(H,13,14).
What are the key properties of 1-methyl-N-(3-methylsulfanylbutyl)imidazo[4,5-c]pyridin-4-amine?
1-methyl-N-(3-methylsulfanylbutyl)imidazo[4,5-c]pyridin-4-amine has a molecular weight of 250.37 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methylsulfanylbutyl)imidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 103385824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).