8-methyl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one

C16H14N2O2 — CID 157197149

IUPAC8-methyl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)c(OCc3ccccc3)cnc2c1
InChIInChI=1S/C16H14N2O2/c1-12-7-8-18-15(9-12)17-10-14(16(18)19)20-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyCEXVKZGEDHHMKL-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.58
Rot. Bonds3

About 8-methyl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one

8-methyl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 157197149) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 8-methyl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-methyl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
PubChem CID157197149
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name8-methyl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)c(OCc3ccccc3)cnc2c1
InChIInChI=1S/C16H14N2O2/c1-12-7-8-18-15(9-12)17-10-14(16(18)19)20-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyCEXVKZGEDHHMKL-UHFFFAOYSA-N
XLogP2.58
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-benzyl-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 120649912
8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-diazonium
CID 15459338
3-methyl-2-methylsulfanyl-5-phenylmethoxypyrimidin-4-one
CID 165352781
7-methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 162421003
1,3-dimethyl-4-phenylmethoxypyridin-2-one;ethane
CID 156637776
8-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 166201595
3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)-propan-2-ylamino]propanoic acid
CID 119207034
N-[(2S)-1-methoxypropan-2-yl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 95132933
2-(2-fluoro-5-methylphenyl)-5-phenylmethoxy-1H-pyrimidin-6-one
CID 142874278
8-methyl-N-[3-(methylamino)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119430115
(4-pyridin-3-yloxyphenyl)methyl 7-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 166189756
2-bromo-4-methyl-5-phenylmethoxypyridine
CID 166661810

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-methyl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one (CID 157197149) is 8-methyl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-methyl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-methyl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one is Cc1ccn2c(=O)c(OCc3ccccc3)cnc2c1.
What is the InChIKey of 8-methyl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CEXVKZGEDHHMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-12-7-8-18-15(9-12)17-10-14(16(18)19)20-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of 8-methyl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
8-methyl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 266.30 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 157197149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).