8-(4-fluoro-3-methylphenoxy)pyrido[1,2-a]pyrimidin-4-one

C15H11FN2O2 — CID 22263539

IUPAC8-(4-fluoro-3-methylphenoxy)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(Oc2ccn3c(=O)ccnc3c2)ccc1F
InChIInChI=1S/C15H11FN2O2/c1-10-8-11(2-3-13(10)16)20-12-5-7-18-14(9-12)17-6-4-15(18)19/h2-9H,1H3
InChIKeyKHPVSPIMZBBBFF-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.93
Rot. Bonds2

About 8-(4-fluoro-3-methylphenoxy)pyrido[1,2-a]pyrimidin-4-one

8-(4-fluoro-3-methylphenoxy)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 22263539) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 8-(4-fluoro-3-methylphenoxy)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-(4-fluoro-3-methylphenoxy)pyrido[1,2-a]pyrimidin-4-one
PubChem CID22263539
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name8-(4-fluoro-3-methylphenoxy)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(Oc2ccn3c(=O)ccnc3c2)ccc1F
InChIInChI=1S/C15H11FN2O2/c1-10-8-11(2-3-13(10)16)20-12-5-7-18-14(9-12)17-6-4-15(18)19/h2-9H,1H3
InChIKeyKHPVSPIMZBBBFF-UHFFFAOYSA-N
XLogP2.93
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (E)-2-cyano-3-[2-(3-methylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate
CID 2009956
(2Z)-2-[(3-methoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one
CID 134157234
2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 6224254
(E)-methyl 2-cyano-3-(4-oxo-2-(m-tolyloxy)-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylate
CID 5782644
(E)-3-[4-(difluoromethoxy)phenyl]-1-(2-propan-2-ylimino-1-pyridinyl)prop-2-en-1-one
CID 41668803
2-[(2,5-Dimethylphenoxy)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 42903962
2-[(3,5-Dimethylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42928831
2-[(2,5-Dimethylphenoxy)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 42952259
2-[2-(3-propan-2-yloxyphenyl)ethenyl]-1H-pyrimidin-6-one
CID 91941408
1-(6-Fluoro-2,2-dimethyl-1,3-benzoxazin-4-yl)pyridin-2-one
CID 19816895
9-(4-Fluoro-3-methylphenoxy)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 23586739
Ethyl 4-oxo-2-[3-(trifluoromethyl)phenoxy]pyrido[1,2-a]pyrimidine-3-carboxylate
CID 67320724

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluoro-3-methylphenoxy)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-(4-fluoro-3-methylphenoxy)pyrido[1,2-a]pyrimidin-4-one (CID 22263539) is 8-(4-fluoro-3-methylphenoxy)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-(4-fluoro-3-methylphenoxy)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-(4-fluoro-3-methylphenoxy)pyrido[1,2-a]pyrimidin-4-one is Cc1cc(Oc2ccn3c(=O)ccnc3c2)ccc1F.
What is the InChIKey of 8-(4-fluoro-3-methylphenoxy)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KHPVSPIMZBBBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c1-10-8-11(2-3-13(10)16)20-12-5-7-18-14(9-12)17-6-4-15(18)19/h2-9H,1H3.
What are the key properties of 8-(4-fluoro-3-methylphenoxy)pyrido[1,2-a]pyrimidin-4-one?
8-(4-fluoro-3-methylphenoxy)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 270.26 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluoro-3-methylphenoxy)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 22263539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).