3,8-diethyl-2-phenylpyrido[1,2-a]pyrimidin-4-one

C18H18N2O — CID 56647939

IUPAC3,8-diethyl-2-phenylpyrido[1,2-a]pyrimidin-4-one
SMILESCCc1ccn2c(=O)c(CC)c(-c3ccccc3)nc2c1
InChIInChI=1S/C18H18N2O/c1-3-13-10-11-20-16(12-13)19-17(15(4-2)18(20)21)14-8-6-5-7-9-14/h5-12H,3-4H2,1-2H3
InChIKeyQQDSFYRDIKEDBS-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.49
Rot. Bonds3

About 3,8-diethyl-2-phenylpyrido[1,2-a]pyrimidin-4-one

3,8-diethyl-2-phenylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 56647939) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 3,8-diethyl-2-phenylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3,8-diethyl-2-phenylpyrido[1,2-a]pyrimidin-4-one
PubChem CID56647939
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name3,8-diethyl-2-phenylpyrido[1,2-a]pyrimidin-4-one
SMILESCCc1ccn2c(=O)c(CC)c(-c3ccccc3)nc2c1
InChIInChI=1S/C18H18N2O/c1-3-13-10-11-20-16(12-13)19-17(15(4-2)18(20)21)14-8-6-5-7-9-14/h5-12H,3-4H2,1-2H3
InChIKeyQQDSFYRDIKEDBS-UHFFFAOYSA-N
XLogP3.49
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,8-diethyl-2-phenylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3,8-diethyl-2-phenylpyrido[1,2-a]pyrimidin-4-one (CID 56647939) is 3,8-diethyl-2-phenylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3,8-diethyl-2-phenylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3,8-diethyl-2-phenylpyrido[1,2-a]pyrimidin-4-one is CCc1ccn2c(=O)c(CC)c(-c3ccccc3)nc2c1.
What is the InChIKey of 3,8-diethyl-2-phenylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QQDSFYRDIKEDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-3-13-10-11-20-16(12-13)19-17(15(4-2)18(20)21)14-8-6-5-7-9-14/h5-12H,3-4H2,1-2H3.
What are the key properties of 3,8-diethyl-2-phenylpyrido[1,2-a]pyrimidin-4-one?
3,8-diethyl-2-phenylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 278.36 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-diethyl-2-phenylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 56647939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).