2-[(3-fluoro-2-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one

C16H14FN3O — CID 62669698

IUPAC2-[(3-fluoro-2-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(F)cccc1NCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C16H14FN3O/c1-11-13(17)5-4-6-14(11)18-10-12-9-16(21)20-8-3-2-7-15(20)19-12/h2-9,18H,10H2,1H3
InChIKeySWOMXAXFGFQJSX-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.75
Rot. Bonds3

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

2-[(3-fluoro-2-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 62669698) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-[(3-fluoro-2-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(3-fluoro-2-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID62669698
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name2-[(3-fluoro-2-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(F)cccc1NCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C16H14FN3O/c1-11-13(17)5-4-6-14(11)18-10-12-9-16(21)20-8-3-2-7-15(20)19-12/h2-9,18H,10H2,1H3
InChIKeySWOMXAXFGFQJSX-UHFFFAOYSA-N
XLogP2.75
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-2-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(3-fluoro-2-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 62669698) is 2-[(3-fluoro-2-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(3-fluoro-2-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(3-fluoro-2-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1c(F)cccc1NCc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[(3-fluoro-2-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SWOMXAXFGFQJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-11-13(17)5-4-6-14(11)18-10-12-9-16(21)20-8-3-2-7-15(20)19-12/h2-9,18H,10H2,1H3.
What are the key properties of 2-[(3-fluoro-2-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(3-fluoro-2-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 283.31 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-2-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 62669698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).