2-methyl-N-[2-(4-methylsulfanylimidazol-1-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine

C18H20N8S — CID 90177808

IUPAC2-methyl-N-[2-(4-methylsulfanylimidazol-1-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
SMILESCSc1cn(-c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)cn1
InChIInChI=1S/C18H20N8S/c1-11(2)26-12(3)22-13-8-20-16(7-14(13)26)23-15-5-6-19-18(24-15)25-9-17(27-4)21-10-25/h5-11H,1-4H3,(H,19,20,23,24)
InChIKeyFCYQOOUQMFIEDH-UHFFFAOYSA-N
MW380.48 g/mol
LogP3.76
Rot. Bonds5

About 2-methyl-N-[2-(4-methylsulfanylimidazol-1-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine

2-methyl-N-[2-(4-methylsulfanylimidazol-1-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine (PubChem CID 90177808) has the molecular formula C18H20N8S and a molecular weight of 380.48 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-methylsulfanylimidazol-1-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(4-methylsulfanylimidazol-1-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
PubChem CID90177808
Molecular FormulaC18H20N8S
Molecular Weight380.48 g/mol
Exact Mass380.15
IUPAC Name2-methyl-N-[2-(4-methylsulfanylimidazol-1-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
SMILESCSc1cn(-c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)cn1
InChIInChI=1S/C18H20N8S/c1-11(2)26-12(3)22-13-8-20-16(7-14(13)26)23-15-5-6-19-18(24-15)25-9-17(27-4)21-10-25/h5-11H,1-4H3,(H,19,20,23,24)
InChIKeyFCYQOOUQMFIEDH-UHFFFAOYSA-N
XLogP3.76
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-methylsulfanylimidazol-1-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
The IUPAC name of 2-methyl-N-[2-(4-methylsulfanylimidazol-1-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine (CID 90177808) is 2-methyl-N-[2-(4-methylsulfanylimidazol-1-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for 2-methyl-N-[2-(4-methylsulfanylimidazol-1-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for 2-methyl-N-[2-(4-methylsulfanylimidazol-1-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine is CSc1cn(-c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)cn1.
What is the InChIKey of 2-methyl-N-[2-(4-methylsulfanylimidazol-1-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
The InChIKey is FCYQOOUQMFIEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8S/c1-11(2)26-12(3)22-13-8-20-16(7-14(13)26)23-15-5-6-19-18(24-15)25-9-17(27-4)21-10-25/h5-11H,1-4H3,(H,19,20,23,24).
What are the key properties of 2-methyl-N-[2-(4-methylsulfanylimidazol-1-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
2-methyl-N-[2-(4-methylsulfanylimidazol-1-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine has a molecular weight of 380.48 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-methylsulfanylimidazol-1-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 90177808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).