N-(2-cyclohexylpyrimidin-4-yl)-1,2-dimethylimidazo[4,5-c]pyridin-6-amine

C18H22N6 — CID 135210248

IUPACN-(2-cyclohexylpyrimidin-4-yl)-1,2-dimethylimidazo[4,5-c]pyridin-6-amine
SMILESCc1nc2cnc(Nc3ccnc(C4CCCCC4)n3)cc2n1C
InChIInChI=1S/C18H22N6/c1-12-21-14-11-20-17(10-15(14)24(12)2)22-16-8-9-19-18(23-16)13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,19,20,22,23)
InChIKeyIQWZMRUPTZWLBY-UHFFFAOYSA-N
MW322.42 g/mol
LogP3.86
Rot. Bonds3

About N-(2-cyclohexylpyrimidin-4-yl)-1,2-dimethylimidazo[4,5-c]pyridin-6-amine

N-(2-cyclohexylpyrimidin-4-yl)-1,2-dimethylimidazo[4,5-c]pyridin-6-amine (PubChem CID 135210248) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-(2-cyclohexylpyrimidin-4-yl)-1,2-dimethylimidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound NameN-(2-cyclohexylpyrimidin-4-yl)-1,2-dimethylimidazo[4,5-c]pyridin-6-amine
PubChem CID135210248
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC NameN-(2-cyclohexylpyrimidin-4-yl)-1,2-dimethylimidazo[4,5-c]pyridin-6-amine
SMILESCc1nc2cnc(Nc3ccnc(C4CCCCC4)n3)cc2n1C
InChIInChI=1S/C18H22N6/c1-12-21-14-11-20-17(10-15(14)24(12)2)22-16-8-9-19-18(23-16)13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,19,20,22,23)
InChIKeyIQWZMRUPTZWLBY-UHFFFAOYSA-N
XLogP3.86
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylpyrimidin-4-yl)-1,2-dimethylimidazo[4,5-c]pyridin-6-amine?
The IUPAC name of N-(2-cyclohexylpyrimidin-4-yl)-1,2-dimethylimidazo[4,5-c]pyridin-6-amine (CID 135210248) is N-(2-cyclohexylpyrimidin-4-yl)-1,2-dimethylimidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for N-(2-cyclohexylpyrimidin-4-yl)-1,2-dimethylimidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for N-(2-cyclohexylpyrimidin-4-yl)-1,2-dimethylimidazo[4,5-c]pyridin-6-amine is Cc1nc2cnc(Nc3ccnc(C4CCCCC4)n3)cc2n1C.
What is the InChIKey of N-(2-cyclohexylpyrimidin-4-yl)-1,2-dimethylimidazo[4,5-c]pyridin-6-amine?
The InChIKey is IQWZMRUPTZWLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c1-12-21-14-11-20-17(10-15(14)24(12)2)22-16-8-9-19-18(23-16)13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,19,20,22,23).
What are the key properties of N-(2-cyclohexylpyrimidin-4-yl)-1,2-dimethylimidazo[4,5-c]pyridin-6-amine?
N-(2-cyclohexylpyrimidin-4-yl)-1,2-dimethylimidazo[4,5-c]pyridin-6-amine has a molecular weight of 322.42 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylpyrimidin-4-yl)-1,2-dimethylimidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 135210248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).