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

C16H14N2O — CID 44622576

IUPAC8-ethyl-2-phenylpyrido[1,2-a]pyrimidin-4-one
SMILESCCc1ccn2c(=O)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C16H14N2O/c1-2-12-8-9-18-15(10-12)17-14(11-16(18)19)13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChIKeyRXRVMSVYRMCQJP-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.92
Rot. Bonds2

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

8-ethyl-2-phenylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 44622576) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 8-ethyl-2-phenylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-ethyl-2-phenylpyrido[1,2-a]pyrimidin-4-one
PubChem CID44622576
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name8-ethyl-2-phenylpyrido[1,2-a]pyrimidin-4-one
SMILESCCc1ccn2c(=O)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C16H14N2O/c1-2-12-8-9-18-15(10-12)17-14(11-16(18)19)13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChIKeyRXRVMSVYRMCQJP-UHFFFAOYSA-N
XLogP2.92
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-phenylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-ethyl-2-phenylpyrido[1,2-a]pyrimidin-4-one (CID 44622576) is 8-ethyl-2-phenylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-ethyl-2-phenylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-ethyl-2-phenylpyrido[1,2-a]pyrimidin-4-one is CCc1ccn2c(=O)cc(-c3ccccc3)nc2c1.
What is the InChIKey of 8-ethyl-2-phenylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RXRVMSVYRMCQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-2-12-8-9-18-15(10-12)17-14(11-16(18)19)13-6-4-3-5-7-13/h3-11H,2H2,1H3.
What are the key properties of 8-ethyl-2-phenylpyrido[1,2-a]pyrimidin-4-one?
8-ethyl-2-phenylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 250.30 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-phenylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 44622576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).