7-[4-(dimethylamino)cyclohexen-1-yl]-2-[4-methoxy-3-(2-methylcyclopropyl)phenyl]pyrido[1,2-a]pyrimidin-4-one

C27H31N3O2 — CID 123613803

IUPAC7-[4-(dimethylamino)cyclohexen-1-yl]-2-[4-methoxy-3-(2-methylcyclopropyl)phenyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(-c2cc(=O)n3cc(C4=CCC(N(C)C)CC4)ccc3n2)cc1C1CC1C
InChIInChI=1S/C27H31N3O2/c1-17-13-22(17)23-14-19(7-11-25(23)32-4)24-15-27(31)30-16-20(8-12-26(30)28-24)18-5-9-21(10-6-18)29(2)3/h5,7-8,11-12,14-17,21-22H,6,9-10,13H2,1-4H3
InChIKeyIUADLIAFISVOEW-UHFFFAOYSA-N
MW429.56 g/mol
LogP4.99
Rot. Bonds5

About 7-[4-(dimethylamino)cyclohexen-1-yl]-2-[4-methoxy-3-(2-methylcyclopropyl)phenyl]pyrido[1,2-a]pyrimidin-4-one

7-[4-(dimethylamino)cyclohexen-1-yl]-2-[4-methoxy-3-(2-methylcyclopropyl)phenyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 123613803) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is 7-[4-(dimethylamino)cyclohexen-1-yl]-2-[4-methoxy-3-(2-methylcyclopropyl)phenyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-[4-(dimethylamino)cyclohexen-1-yl]-2-[4-methoxy-3-(2-methylcyclopropyl)phenyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID123613803
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC Name7-[4-(dimethylamino)cyclohexen-1-yl]-2-[4-methoxy-3-(2-methylcyclopropyl)phenyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(-c2cc(=O)n3cc(C4=CCC(N(C)C)CC4)ccc3n2)cc1C1CC1C
InChIInChI=1S/C27H31N3O2/c1-17-13-22(17)23-14-19(7-11-25(23)32-4)24-15-27(31)30-16-20(8-12-26(30)28-24)18-5-9-21(10-6-18)29(2)3/h5,7-8,11-12,14-17,21-22H,6,9-10,13H2,1-4H3
InChIKeyIUADLIAFISVOEW-UHFFFAOYSA-N
XLogP4.99
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-cyclopropyl-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one
CID 145200029
4-(4-methoxyphenyl)-N,N-dimethylcyclohex-3-en-1-amine
CID 142398522
2-[3-(dimethylamino)-4-methoxyphenyl]-7-(4,5-dimethylazocan-1-yl)pyrido[1,2-a]pyrimidin-4-one
CID 142510984
2-(3-methoxy-4-methylphenyl)-7-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
CID 170019181
7-[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)quinolizin-4-one;7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-4-methoxyphenyl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
CID 159898287
7-(2-aminoethylamino)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one
CID 142511343
2-(3,4-dimethoxyphenyl)-7-[4-(dimethylamino)piperidin-1-yl]-9-ethylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-4-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;7-[4-(dimethylamino)piperidin-1-yl]-2-(2-methyl-1,3-benzothiazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
CID 161498711
4-[2-(3,4-dimethoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylcyclohex-3-en-1-amine
CID 141381138
7-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-2-(4-methoxy-3-methylphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 144885326
2-(3,4-dimethoxyphenyl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-methoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 159440378
[4-[7-(2,5-dihydropyridin-4-yl)-4-oxopyrido[1,2-a]pyrimidin-2-yl]-3-methoxyphenyl] trifluoromethanesulfonate
CID 175920477
7-(4-aminopiperidin-1-yl)-2-(3-fluoro-4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one;2-(3-fluoro-4-methoxyphenyl)-7-[4-(methylamino)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 158388470

Frequently Asked Questions

What is the IUPAC name of 7-[4-(dimethylamino)cyclohexen-1-yl]-2-[4-methoxy-3-(2-methylcyclopropyl)phenyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-[4-(dimethylamino)cyclohexen-1-yl]-2-[4-methoxy-3-(2-methylcyclopropyl)phenyl]pyrido[1,2-a]pyrimidin-4-one (CID 123613803) is 7-[4-(dimethylamino)cyclohexen-1-yl]-2-[4-methoxy-3-(2-methylcyclopropyl)phenyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-[4-(dimethylamino)cyclohexen-1-yl]-2-[4-methoxy-3-(2-methylcyclopropyl)phenyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-[4-(dimethylamino)cyclohexen-1-yl]-2-[4-methoxy-3-(2-methylcyclopropyl)phenyl]pyrido[1,2-a]pyrimidin-4-one is COc1ccc(-c2cc(=O)n3cc(C4=CCC(N(C)C)CC4)ccc3n2)cc1C1CC1C.
What is the InChIKey of 7-[4-(dimethylamino)cyclohexen-1-yl]-2-[4-methoxy-3-(2-methylcyclopropyl)phenyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IUADLIAFISVOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-17-13-22(17)23-14-19(7-11-25(23)32-4)24-15-27(31)30-16-20(8-12-26(30)28-24)18-5-9-21(10-6-18)29(2)3/h5,7-8,11-12,14-17,21-22H,6,9-10,13H2,1-4H3.
What are the key properties of 7-[4-(dimethylamino)cyclohexen-1-yl]-2-[4-methoxy-3-(2-methylcyclopropyl)phenyl]pyrido[1,2-a]pyrimidin-4-one?
7-[4-(dimethylamino)cyclohexen-1-yl]-2-[4-methoxy-3-(2-methylcyclopropyl)phenyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 429.56 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(dimethylamino)cyclohexen-1-yl]-2-[4-methoxy-3-(2-methylcyclopropyl)phenyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 123613803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).