2-[[[4-(Difluoromethoxy)phenyl]methyl-methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

C19H19F2N3O2 — CID 8003640

IUPAC2-[[[4-(difluoromethoxy)phenyl]methyl-methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCC1=CC2=NC(=CC(=O)N2C=C1)CN(C)CC3=CC=C(C=C3)OC(F)F
InChIInChI=1S/C19H19F2N3O2/c1-13-7-8-24-17(9-13)22-15(10-18(24)25)12-23(2)11-14-3-5-16(6-4-14)26-19(20)21/h3-10,19H,11-12H2,1-2H3
InChIKeyFYDJEFDHOQTTLB-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.30
Rot. Bonds6

About 2-[[[4-(Difluoromethoxy)phenyl]methyl-methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

2-[[[4-(Difluoromethoxy)phenyl]methyl-methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 8003640) has the molecular formula C19H19F2N3O2 and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-[[[4-(difluoromethoxy)phenyl]methyl-methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[[4-(Difluoromethoxy)phenyl]methyl-methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID8003640
Molecular FormulaC19H19F2N3O2
Molecular Weight359.40 g/mol
Exact Mass359.14
IUPAC Name2-[[[4-(difluoromethoxy)phenyl]methyl-methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCC1=CC2=NC(=CC(=O)N2C=C1)CN(C)CC3=CC=C(C=C3)OC(F)F
InChIInChI=1S/C19H19F2N3O2/c1-13-7-8-24-17(9-13)22-15(10-18(24)25)12-23(2)11-14-3-5-16(6-4-14)26-19(20)21/h3-10,19H,11-12H2,1-2H3
InChIKeyFYDJEFDHOQTTLB-UHFFFAOYSA-N
XLogP2.30
TPSA45.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity662

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[[4-(Difluoromethoxy)phenyl]methyl-methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-(4-methoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 10848404
2-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 665891
4-methoxy-N-(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 2242340
(2E)-2-(4-methoxybenzylidene)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-3-one
CID 2324258
(2Z)-2-[(4-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one
CID 2324259
N-[(4-methoxyphenyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4151343
2-(3,4-dimethoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 20152292
N-(4-methoxybenzyl)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16010492
4-hydroxy-N-(4-methoxybenzyl)-9-methyl-2-oxo-2H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458500
(2Z)-7-methoxy-2-[(4-methoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one
CID 168290002
2-(4-Methoxyphenyl)-3-phenylpyrido[1,2-a]pyrimidin-4-one
CID 71741335
3-(4-Methoxyphenyl)-2-phenylpyrido[1,2-a]pyrimidin-4-one
CID 76324729

Frequently Asked Questions

What is the IUPAC name of 2-[[[4-(Difluoromethoxy)phenyl]methyl-methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[[4-(Difluoromethoxy)phenyl]methyl-methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (CID 8003640) is 2-[[[4-(difluoromethoxy)phenyl]methyl-methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[[4-(Difluoromethoxy)phenyl]methyl-methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[[4-(Difluoromethoxy)phenyl]methyl-methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is CC1=CC2=NC(=CC(=O)N2C=C1)CN(C)CC3=CC=C(C=C3)OC(F)F.
What is the InChIKey of 2-[[[4-(Difluoromethoxy)phenyl]methyl-methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FYDJEFDHOQTTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2/c1-13-7-8-24-17(9-13)22-15(10-18(24)25)12-23(2)11-14-3-5-16(6-4-14)26-19(20)21/h3-10,19H,11-12H2,1-2H3.
What are the key properties of 2-[[[4-(Difluoromethoxy)phenyl]methyl-methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[[4-(Difluoromethoxy)phenyl]methyl-methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 359.40 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-(Difluoromethoxy)phenyl]methyl-methylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 8003640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).