4-N-[5-methyl-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine

C24H26N6 — CID 135301300

IUPAC4-N-[5-methyl-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
SMILESCc1cnc(NC2CCC(N)CC2)nc1-c1cnc2ccc(-c3ccccc3)cn12
InChIInChI=1S/C24H26N6/c1-16-13-27-24(28-20-10-8-19(25)9-11-20)29-23(16)21-14-26-22-12-7-18(15-30(21)22)17-5-3-2-4-6-17/h2-7,12-15,19-20H,8-11,25H2,1H3,(H,27,28,29)
InChIKeyOVOYRPVIZNJKHS-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.45
Rot. Bonds4

About 4-N-[5-methyl-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine

4-N-[5-methyl-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine (PubChem CID 135301300) has the molecular formula C24H26N6 and a molecular weight of 398.51 g/mol. Its IUPAC name is 4-N-[5-methyl-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[5-methyl-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
PubChem CID135301300
Molecular FormulaC24H26N6
Molecular Weight398.51 g/mol
Exact Mass398.22
IUPAC Name4-N-[5-methyl-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
SMILESCc1cnc(NC2CCC(N)CC2)nc1-c1cnc2ccc(-c3ccccc3)cn12
InChIInChI=1S/C24H26N6/c1-16-13-27-24(28-20-10-8-19(25)9-11-20)29-23(16)21-14-26-22-12-7-18(15-30(21)22)17-5-3-2-4-6-17/h2-7,12-15,19-20H,8-11,25H2,1H3,(H,27,28,29)
InChIKeyOVOYRPVIZNJKHS-UHFFFAOYSA-N
XLogP4.45
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[5-methyl-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[5-methyl-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine (CID 135301300) is 4-N-[5-methyl-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[5-methyl-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[5-methyl-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine is Cc1cnc(NC2CCC(N)CC2)nc1-c1cnc2ccc(-c3ccccc3)cn12.
What is the InChIKey of 4-N-[5-methyl-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine?
The InChIKey is OVOYRPVIZNJKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6/c1-16-13-27-24(28-20-10-8-19(25)9-11-20)29-23(16)21-14-26-22-12-7-18(15-30(21)22)17-5-3-2-4-6-17/h2-7,12-15,19-20H,8-11,25H2,1H3,(H,27,28,29).
What are the key properties of 4-N-[5-methyl-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine?
4-N-[5-methyl-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine has a molecular weight of 398.51 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[5-methyl-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 135301300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).