2-[(3,5-difluoro-2-methoxyanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C17H15F2N3O2 — CID 166219766

IUPAC2-[(3,5-difluoro-2-methoxyanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1c(F)cc(F)cc1NCc1cc(=O)n2cc(C)ccc2n1
InChIInChI=1S/C17H15F2N3O2/c1-10-3-4-15-21-12(7-16(23)22(15)9-10)8-20-14-6-11(18)5-13(19)17(14)24-2/h3-7,9,20H,8H2,1-2H3
InChIKeyPOERGEJGKFFDOV-UHFFFAOYSA-N
MW331.32 g/mol
LogP2.90
Rot. Bonds4

About 2-[(3,5-difluoro-2-methoxyanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

2-[(3,5-difluoro-2-methoxyanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 166219766) has the molecular formula C17H15F2N3O2 and a molecular weight of 331.32 g/mol. Its IUPAC name is 2-[(3,5-difluoro-2-methoxyanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(3,5-difluoro-2-methoxyanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID166219766
Molecular FormulaC17H15F2N3O2
Molecular Weight331.32 g/mol
Exact Mass331.11
IUPAC Name2-[(3,5-difluoro-2-methoxyanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1c(F)cc(F)cc1NCc1cc(=O)n2cc(C)ccc2n1
InChIInChI=1S/C17H15F2N3O2/c1-10-3-4-15-21-12(7-16(23)22(15)9-10)8-20-14-6-11(18)5-13(19)17(14)24-2/h3-7,9,20H,8H2,1-2H3
InChIKeyPOERGEJGKFFDOV-UHFFFAOYSA-N
XLogP2.90
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-bromo-4-methylanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 51253064
2-[(2-chloro-4-iodoanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 166207111
methyl 2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]-5-propan-2-ylbenzoate
CID 71881761
7-methyl-2-[[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 50787830
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2,4-difluorobenzoate
CID 7542386
N-[5-chloro-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]furan-2-carboxamide
CID 55729288
2-(2,4-difluorophenyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 175964945
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667188
2-[(4-chlorophenoxy)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 2363789
2-[(3-fluoro-2-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62669698
2-(2-aminoethylsulfanylmethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 43249315
7-methyl-2-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42884024

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluoro-2-methoxyanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(3,5-difluoro-2-methoxyanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 166219766) is 2-[(3,5-difluoro-2-methoxyanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(3,5-difluoro-2-methoxyanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(3,5-difluoro-2-methoxyanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is COc1c(F)cc(F)cc1NCc1cc(=O)n2cc(C)ccc2n1.
What is the InChIKey of 2-[(3,5-difluoro-2-methoxyanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is POERGEJGKFFDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2/c1-10-3-4-15-21-12(7-16(23)22(15)9-10)8-20-14-6-11(18)5-13(19)17(14)24-2/h3-7,9,20H,8H2,1-2H3.
What are the key properties of 2-[(3,5-difluoro-2-methoxyanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-[(3,5-difluoro-2-methoxyanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 331.32 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluoro-2-methoxyanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 166219766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).