7-cyclopropyl-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one

C19H18N2O3 — CID 145200029

IUPAC7-cyclopropyl-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(-c2cc(=O)n3cc(C4CC4)ccc3n2)cc1OC
InChIInChI=1S/C19H18N2O3/c1-23-16-7-5-13(9-17(16)24-2)15-10-19(22)21-11-14(12-3-4-12)6-8-18(21)20-15/h5-12H,3-4H2,1-2H3
InChIKeyMGPJCXZFSFGYDJ-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.26
Rot. Bonds4

About 7-cyclopropyl-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one

7-cyclopropyl-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 145200029) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 7-cyclopropyl-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-cyclopropyl-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID145200029
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name7-cyclopropyl-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(-c2cc(=O)n3cc(C4CC4)ccc3n2)cc1OC
InChIInChI=1S/C19H18N2O3/c1-23-16-7-5-13(9-17(16)24-2)15-10-19(22)21-11-14(12-3-4-12)6-8-18(21)20-15/h5-12H,3-4H2,1-2H3
InChIKeyMGPJCXZFSFGYDJ-UHFFFAOYSA-N
XLogP3.26
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(2-aminoethylamino)-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one
CID 142511343
6-[1-(1-cyclopropylpiperidin-4-yl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine
CID 162735603
2-(3,4-dimethoxyphenyl)-8-methoxypyrido[1,2-a]pyrimidin-4-one
CID 146523465
2-(3,4-dimethoxyphenyl)-7-(3,3-dimethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 162119615
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
2-(3,4-dimethoxyphenyl)-7-(3,5-dimethylpiperazin-1-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 123359713
7-(1,4-diazepan-1-yl)-2-(2-methyl-1,3-benzothiazol-6-yl)pyrido[1,2-a]pyrimidin-4-one;2-(3,4-dimethoxyphenyl)-9-methyl-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
CID 157275267
2-[3-(dimethylamino)-4-methoxyphenyl]-7-(4,5-dimethylazocan-1-yl)pyrido[1,2-a]pyrimidin-4-one
CID 142510984
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
7-[4-(dimethylamino)cyclohexen-1-yl]-2-[4-methoxy-3-(2-methylcyclopropyl)phenyl]pyrido[1,2-a]pyrimidin-4-one
CID 123613803
2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridine
CID 622689
azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-cyclopropyl-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one (CID 145200029) is 7-cyclopropyl-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-cyclopropyl-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-cyclopropyl-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one is COc1ccc(-c2cc(=O)n3cc(C4CC4)ccc3n2)cc1OC.
What is the InChIKey of 7-cyclopropyl-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MGPJCXZFSFGYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-23-16-7-5-13(9-17(16)24-2)15-10-19(22)21-11-14(12-3-4-12)6-8-18(21)20-15/h5-12H,3-4H2,1-2H3.
What are the key properties of 7-cyclopropyl-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one?
7-cyclopropyl-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 322.36 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 145200029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).