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

C18H18N2O — CID 56647838

IUPAC8-tert-butyl-2-phenylpyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)(C)c1ccn2c(=O)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C18H18N2O/c1-18(2,3)14-9-10-20-16(11-14)19-15(12-17(20)21)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyYNTRBXZZLABFIF-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.66
Rot. Bonds1

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

8-tert-butyl-2-phenylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 56647838) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 8-tert-butyl-2-phenylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-tert-butyl-2-phenylpyrido[1,2-a]pyrimidin-4-one
PubChem CID56647838
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name8-tert-butyl-2-phenylpyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)(C)c1ccn2c(=O)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C18H18N2O/c1-18(2,3)14-9-10-20-16(11-14)19-15(12-17(20)21)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyYNTRBXZZLABFIF-UHFFFAOYSA-N
XLogP3.66
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.66
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
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
6-benzyl-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 135472211
3-[(E)-(benzylimino)methyl]-9-methyl-2-(methylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 764881
7-Cyclopropyl-2-phenylpyrido[1,2-a]pyrimidin-4-one
CID 56647940

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-2-phenylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-tert-butyl-2-phenylpyrido[1,2-a]pyrimidin-4-one (CID 56647838) is 8-tert-butyl-2-phenylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-tert-butyl-2-phenylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-tert-butyl-2-phenylpyrido[1,2-a]pyrimidin-4-one is CC(C)(C)c1ccn2c(=O)cc(-c3ccccc3)nc2c1.
What is the InChIKey of 8-tert-butyl-2-phenylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YNTRBXZZLABFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-18(2,3)14-9-10-20-16(11-14)19-15(12-17(20)21)13-7-5-4-6-8-13/h4-12H,1-3H3.
What are the key properties of 8-tert-butyl-2-phenylpyrido[1,2-a]pyrimidin-4-one?
8-tert-butyl-2-phenylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 278.36 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-2-phenylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 56647838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).