2-(N,3-dimethylanilino)-3-(methoxymethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one

C19H21N3O2 — CID 90290479

IUPAC2-(N,3-dimethylanilino)-3-(methoxymethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOCc1c(N(C)c2cccc(C)c2)nc2c(C)cccn2c1=O
InChIInChI=1S/C19H21N3O2/c1-13-7-5-9-15(11-13)21(3)18-16(12-24-4)19(23)22-10-6-8-14(2)17(22)20-18/h5-11H,12H2,1-4H3
InChIKeySWRYOGZEGLPOLL-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.23
Rot. Bonds4

About 2-(N,3-dimethylanilino)-3-(methoxymethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one

2-(N,3-dimethylanilino)-3-(methoxymethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 90290479) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-(N,3-dimethylanilino)-3-(methoxymethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(N,3-dimethylanilino)-3-(methoxymethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID90290479
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-(N,3-dimethylanilino)-3-(methoxymethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOCc1c(N(C)c2cccc(C)c2)nc2c(C)cccn2c1=O
InChIInChI=1S/C19H21N3O2/c1-13-7-5-9-15(11-13)21(3)18-16(12-24-4)19(23)22-10-6-8-14(2)17(22)20-18/h5-11H,12H2,1-4H3
InChIKeySWRYOGZEGLPOLL-UHFFFAOYSA-N
XLogP3.23
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(N,3-dimethylanilino)-3-(methoxymethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(N,3-dimethylanilino)-3-(methoxymethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 90290479) is 2-(N,3-dimethylanilino)-3-(methoxymethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(N,3-dimethylanilino)-3-(methoxymethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(N,3-dimethylanilino)-3-(methoxymethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one is COCc1c(N(C)c2cccc(C)c2)nc2c(C)cccn2c1=O.
What is the InChIKey of 2-(N,3-dimethylanilino)-3-(methoxymethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SWRYOGZEGLPOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-7-5-9-15(11-13)21(3)18-16(12-24-4)19(23)22-10-6-8-14(2)17(22)20-18/h5-11H,12H2,1-4H3.
What are the key properties of 2-(N,3-dimethylanilino)-3-(methoxymethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one?
2-(N,3-dimethylanilino)-3-(methoxymethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 323.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N,3-dimethylanilino)-3-(methoxymethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 90290479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).