8-cyclopropyl-2-phenylpyrido[1,2-a]pyrimidin-4-one

C17H14N2O — CID 56647837

IUPAC8-cyclopropyl-2-phenylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(-c2ccccc2)nc2cc(C3CC3)ccn12
InChIInChI=1S/C17H14N2O/c20-17-11-15(13-4-2-1-3-5-13)18-16-10-14(12-6-7-12)8-9-19(16)17/h1-5,8-12H,6-7H2
InChIKeyJHWBLQATLNPXBX-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.24
Rot. Bonds2

About 8-cyclopropyl-2-phenylpyrido[1,2-a]pyrimidin-4-one

8-cyclopropyl-2-phenylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 56647837) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 8-cyclopropyl-2-phenylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-cyclopropyl-2-phenylpyrido[1,2-a]pyrimidin-4-one
PubChem CID56647837
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name8-cyclopropyl-2-phenylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(-c2ccccc2)nc2cc(C3CC3)ccn12
InChIInChI=1S/C17H14N2O/c20-17-11-15(13-4-2-1-3-5-13)18-16-10-14(12-6-7-12)8-9-19(16)17/h1-5,8-12H,6-7H2
InChIKeyJHWBLQATLNPXBX-UHFFFAOYSA-N
XLogP3.24
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Phenyl-2H-pyrido(1,2-A)pyrimidin-2-one
CID 3813423
8-(phenylethynyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 53317110
8-methyl-2-phenyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 377423
2-(4-Chlorophenyl)pyrido[1,2-a]pyrimidin-4-one
CID 10563061
7,9-Dichloro-2-phenylpyrido[1,2-a]pyrimidin-4-one
CID 288319
2-(Benzylamino)pyrido[1,2-a]pyrimidin-4-one
CID 2314144
6-phenyl-2-[(E)-2-phenylethenyl]pyrimidin-4(1H)-one
CID 135580273
8-Ethyl-2-phenylpyrido[1,2-a]pyrimidin-4-one
CID 44622576
2-phenyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 291529
4H-Pyrido[1,2-a]pyrimidin-4-one, 2,3-diphenyl-
CID 12235379
7-Cyclopropyl-2-phenylpyrido[1,2-a]pyrimidin-4-one
CID 56647940
2,7-Diphenylpyrido[1,2-a]pyrimidin-4-one
CID 56647941

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-2-phenylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-cyclopropyl-2-phenylpyrido[1,2-a]pyrimidin-4-one (CID 56647837) is 8-cyclopropyl-2-phenylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-cyclopropyl-2-phenylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-cyclopropyl-2-phenylpyrido[1,2-a]pyrimidin-4-one is O=c1cc(-c2ccccc2)nc2cc(C3CC3)ccn12.
What is the InChIKey of 8-cyclopropyl-2-phenylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JHWBLQATLNPXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c20-17-11-15(13-4-2-1-3-5-13)18-16-10-14(12-6-7-12)8-9-19(16)17/h1-5,8-12H,6-7H2.
What are the key properties of 8-cyclopropyl-2-phenylpyrido[1,2-a]pyrimidin-4-one?
8-cyclopropyl-2-phenylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 262.31 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-2-phenylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 56647837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).