2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

C19H20FN3O — CID 46820750

IUPAC2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCN(Cc1cccc(F)c1)Cc1cc(=O)n2cccc(C)c2n1
InChIInChI=1S/C19H20FN3O/c1-3-22(12-15-7-4-8-16(20)10-15)13-17-11-18(24)23-9-5-6-14(2)19(23)21-17/h4-11H,3,12-13H2,1-2H3
InChIKeyZIHIHGAHUSPJSS-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.16
Rot. Bonds5

About 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 46820750) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID46820750
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCN(Cc1cccc(F)c1)Cc1cc(=O)n2cccc(C)c2n1
InChIInChI=1S/C19H20FN3O/c1-3-22(12-15-7-4-8-16(20)10-15)13-17-11-18(24)23-9-5-6-14(2)19(23)21-17/h4-11H,3,12-13H2,1-2H3
InChIKeyZIHIHGAHUSPJSS-UHFFFAOYSA-N
XLogP3.16
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(4-chlorophenyl)methyl-ethylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 50787833
2-[ethyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid
CID 61013216
9-methyl-2-[(N,3,5-trimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60524914
2-[[ethyl-[(4-methylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 50787902
2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-prop-2-enylamino]acetic acid
CID 79270180
6-amino-1-benzyl-5-[ethyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]pyrimidine-2,4-dione
CID 42931587
2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119928920
2-methyl-2-[methyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid
CID 62820894
9-methyl-2-[[methyl-[(1S)-1-phenylethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92804654
2-[[2-methoxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 91836626
2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 60510332
2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 62015199

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 46820750) is 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is CCN(Cc1cccc(F)c1)Cc1cc(=O)n2cccc(C)c2n1.
What is the InChIKey of 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZIHIHGAHUSPJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c1-3-22(12-15-7-4-8-16(20)10-15)13-17-11-18(24)23-9-5-6-14(2)19(23)21-17/h4-11H,3,12-13H2,1-2H3.
What are the key properties of 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 325.39 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 46820750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).