2-[[(4-chlorophenyl)methyl-ethylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

C19H20ClN3O — CID 50787833

IUPAC2-[[(4-chlorophenyl)methyl-ethylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCN(Cc1ccc(Cl)cc1)Cc1cc(=O)n2cccc(C)c2n1
InChIInChI=1S/C19H20ClN3O/c1-3-22(12-15-6-8-16(20)9-7-15)13-17-11-18(24)23-10-4-5-14(2)19(23)21-17/h4-11H,3,12-13H2,1-2H3
InChIKeyPEGXRLLPFJEEPP-UHFFFAOYSA-N
MW341.84 g/mol
LogP3.68
Rot. Bonds5

About 2-[[(4-chlorophenyl)methyl-ethylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

2-[[(4-chlorophenyl)methyl-ethylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 50787833) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 2-[[(4-chlorophenyl)methyl-ethylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(4-chlorophenyl)methyl-ethylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID50787833
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name2-[[(4-chlorophenyl)methyl-ethylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCN(Cc1ccc(Cl)cc1)Cc1cc(=O)n2cccc(C)c2n1
InChIInChI=1S/C19H20ClN3O/c1-3-22(12-15-6-8-16(20)9-7-15)13-17-11-18(24)23-10-4-5-14(2)19(23)21-17/h4-11H,3,12-13H2,1-2H3
InChIKeyPEGXRLLPFJEEPP-UHFFFAOYSA-N
XLogP3.68
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 46820750
2-[ethyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid
CID 61013216
2-[[ethyl-[(4-methylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 50787902
N-(2,5-dichlorophenyl)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-propylamino]acetamide
CID 42916702
2-(2-aminoethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 115022990
9-methyl-2-[(N,3,5-trimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60524914
2-[[(4-chlorophenyl)methyl-propylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 50787885
2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-prop-2-enylamino]acetic acid
CID 79270180
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
7-chloro-2-(diethylaminomethyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 121384954

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-chlorophenyl)methyl-ethylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(4-chlorophenyl)methyl-ethylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 50787833) is 2-[[(4-chlorophenyl)methyl-ethylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(4-chlorophenyl)methyl-ethylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(4-chlorophenyl)methyl-ethylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is CCN(Cc1ccc(Cl)cc1)Cc1cc(=O)n2cccc(C)c2n1.
What is the InChIKey of 2-[[(4-chlorophenyl)methyl-ethylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PEGXRLLPFJEEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-3-22(12-15-6-8-16(20)9-7-15)13-17-11-18(24)23-10-4-5-14(2)19(23)21-17/h4-11H,3,12-13H2,1-2H3.
What are the key properties of 2-[[(4-chlorophenyl)methyl-ethylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[(4-chlorophenyl)methyl-ethylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 341.84 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-chlorophenyl)methyl-ethylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 50787833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).