4-N-(4-imidazo[1,2-a]pyridin-3-yl-5-methoxypyrimidin-2-yl)cyclohexane-1,4-diamine

C18H22N6O — CID 154601404

IUPAC4-N-(4-imidazo[1,2-a]pyridin-3-yl-5-methoxypyrimidin-2-yl)cyclohexane-1,4-diamine
SMILESCOc1cnc(NC2CCC(N)CC2)nc1-c1cnc2ccccn12
InChIInChI=1S/C18H22N6O/c1-25-15-11-21-18(22-13-7-5-12(19)6-8-13)23-17(15)14-10-20-16-4-2-3-9-24(14)16/h2-4,9-13H,5-8,19H2,1H3,(H,21,22,23)
InChIKeyNPVSUFQAHYSBSU-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.48
Rot. Bonds4

About 4-N-(4-imidazo[1,2-a]pyridin-3-yl-5-methoxypyrimidin-2-yl)cyclohexane-1,4-diamine

4-N-(4-imidazo[1,2-a]pyridin-3-yl-5-methoxypyrimidin-2-yl)cyclohexane-1,4-diamine (PubChem CID 154601404) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 4-N-(4-imidazo[1,2-a]pyridin-3-yl-5-methoxypyrimidin-2-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-imidazo[1,2-a]pyridin-3-yl-5-methoxypyrimidin-2-yl)cyclohexane-1,4-diamine
PubChem CID154601404
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name4-N-(4-imidazo[1,2-a]pyridin-3-yl-5-methoxypyrimidin-2-yl)cyclohexane-1,4-diamine
SMILESCOc1cnc(NC2CCC(N)CC2)nc1-c1cnc2ccccn12
InChIInChI=1S/C18H22N6O/c1-25-15-11-21-18(22-13-7-5-12(19)6-8-13)23-17(15)14-10-20-16-4-2-3-9-24(14)16/h2-4,9-13H,5-8,19H2,1H3,(H,21,22,23)
InChIKeyNPVSUFQAHYSBSU-UHFFFAOYSA-N
XLogP2.48
TPSA90.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-[5-methyl-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 135301300
4-N-[5-chloro-4-[6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 154601412
4-imidazo[1,2-a]pyridin-3-yl-5-methoxy-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 68593439
N-[4-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxyphenyl]-5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-amine
CID 59291184
4-N-[5-chloro-4-(6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 154601410
5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine
CID 45381799
4-N-[5-fluoro-4-[6-(3-fluoroanilino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 154601382
4-chloro-N-cyclopropyl-5-methoxypyrimidin-2-amine
CID 66569539
4-N-[5-fluoro-4-[6-[(4-fluorophenyl)methylamino]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 154601425
1-[[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]methyl]azetidin-3-ol
CID 68594167
4-N-[5-fluoro-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,4-diamine
CID 154995788
1-[4-[4-[[4-imidazo[1,2-a]pyridin-3-yl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56683651

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-imidazo[1,2-a]pyridin-3-yl-5-methoxypyrimidin-2-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(4-imidazo[1,2-a]pyridin-3-yl-5-methoxypyrimidin-2-yl)cyclohexane-1,4-diamine (CID 154601404) is 4-N-(4-imidazo[1,2-a]pyridin-3-yl-5-methoxypyrimidin-2-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(4-imidazo[1,2-a]pyridin-3-yl-5-methoxypyrimidin-2-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(4-imidazo[1,2-a]pyridin-3-yl-5-methoxypyrimidin-2-yl)cyclohexane-1,4-diamine is COc1cnc(NC2CCC(N)CC2)nc1-c1cnc2ccccn12.
What is the InChIKey of 4-N-(4-imidazo[1,2-a]pyridin-3-yl-5-methoxypyrimidin-2-yl)cyclohexane-1,4-diamine?
The InChIKey is NPVSUFQAHYSBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-25-15-11-21-18(22-13-7-5-12(19)6-8-13)23-17(15)14-10-20-16-4-2-3-9-24(14)16/h2-4,9-13H,5-8,19H2,1H3,(H,21,22,23).
What are the key properties of 4-N-(4-imidazo[1,2-a]pyridin-3-yl-5-methoxypyrimidin-2-yl)cyclohexane-1,4-diamine?
4-N-(4-imidazo[1,2-a]pyridin-3-yl-5-methoxypyrimidin-2-yl)cyclohexane-1,4-diamine has a molecular weight of 338.42 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-imidazo[1,2-a]pyridin-3-yl-5-methoxypyrimidin-2-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 154601404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).