2-[[ethyl-[(4-methylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C19H21N3O — CID 50787902

IUPAC2-[[ethyl-[(4-methylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCN(Cc1ccc(C)cc1)Cc1cc(=O)n2ccccc2n1
InChIInChI=1S/C19H21N3O/c1-3-21(13-16-9-7-15(2)8-10-16)14-17-12-19(23)22-11-5-4-6-18(22)20-17/h4-12H,3,13-14H2,1-2H3
InChIKeyDYUAAYWDHLPUIC-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.03
Rot. Bonds5

About 2-[[ethyl-[(4-methylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[ethyl-[(4-methylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 50787902) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[[ethyl-[(4-methylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[ethyl-[(4-methylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID50787902
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-[[ethyl-[(4-methylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCN(Cc1ccc(C)cc1)Cc1cc(=O)n2ccccc2n1
InChIInChI=1S/C19H21N3O/c1-3-21(13-16-9-7-15(2)8-10-16)14-17-12-19(23)22-11-5-4-6-18(22)20-17/h4-12H,3,13-14H2,1-2H3
InChIKeyDYUAAYWDHLPUIC-UHFFFAOYSA-N
XLogP3.03
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid
CID 61009236
2-[[(4-chlorophenyl)methyl-ethylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 50787833
2-[(4-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671462
2-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 50787966
2-[[1-methoxypropan-2-yl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42930399
N-(5-chloro-2-methylphenyl)-2-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide
CID 18199923
7-[[(4-methylphenyl)methyl-propylamino]methyl]-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 50803650
2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 8718373
2-[[(4-chlorophenyl)methyl-propylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 50787885
2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 18088842
2-[(4-chloro-N-propan-2-ylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 166180665
2-[methyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid
CID 62639822

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl-[(4-methylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[ethyl-[(4-methylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 50787902) is 2-[[ethyl-[(4-methylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[ethyl-[(4-methylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[ethyl-[(4-methylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is CCN(Cc1ccc(C)cc1)Cc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[[ethyl-[(4-methylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DYUAAYWDHLPUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-3-21(13-16-9-7-15(2)8-10-16)14-17-12-19(23)22-11-5-4-6-18(22)20-17/h4-12H,3,13-14H2,1-2H3.
What are the key properties of 2-[[ethyl-[(4-methylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[ethyl-[(4-methylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 307.40 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl-[(4-methylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 50787902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).