2-[[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

C19H19F2N3O3 — CID 55627968

IUPAC2-[[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(CN(C)Cc2cc(=O)n3ccccc3n2)cc1OC(F)F
InChIInChI=1S/C19H19F2N3O3/c1-23(11-13-6-7-15(26-2)16(9-13)27-19(20)21)12-14-10-18(25)24-8-4-3-5-17(24)22-14/h3-10,19H,11-12H2,1-2H3
InChIKeyKOYMFMSTYGPEJB-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.94
Rot. Bonds7

About 2-[[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 55627968) has the molecular formula C19H19F2N3O3 and a molecular weight of 375.38 g/mol. Its IUPAC name is 2-[[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID55627968
Molecular FormulaC19H19F2N3O3
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC Name2-[[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(CN(C)Cc2cc(=O)n3ccccc3n2)cc1OC(F)F
InChIInChI=1S/C19H19F2N3O3/c1-23(11-13-6-7-15(26-2)16(9-13)27-19(20)21)12-14-10-18(25)24-8-4-3-5-17(24)22-14/h3-10,19H,11-12H2,1-2H3
InChIKeyKOYMFMSTYGPEJB-UHFFFAOYSA-N
XLogP2.94
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 55627968) is 2-[[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is COc1ccc(CN(C)Cc2cc(=O)n3ccccc3n2)cc1OC(F)F.
What is the InChIKey of 2-[[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KOYMFMSTYGPEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O3/c1-23(11-13-6-7-15(26-2)16(9-13)27-19(20)21)12-14-10-18(25)24-8-4-3-5-17(24)22-14/h3-10,19H,11-12H2,1-2H3.
What are the key properties of 2-[[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 375.38 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 55627968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).