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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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).