2-[[(4-chlorophenyl)methyl-propylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

C20H22ClN3O — CID 50787885

IUPAC2-[[(4-chlorophenyl)methyl-propylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCCN(Cc1ccc(Cl)cc1)Cc1cc(=O)n2ccc(C)cc2n1
InChIInChI=1S/C20H22ClN3O/c1-3-9-23(13-16-4-6-17(21)7-5-16)14-18-12-20(25)24-10-8-15(2)11-19(24)22-18/h4-8,10-12H,3,9,13-14H2,1-2H3
InChIKeyTXHGOJXXPWRHDO-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.07
Rot. Bonds6

About 2-[[(4-chlorophenyl)methyl-propylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

2-[[(4-chlorophenyl)methyl-propylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 50787885) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 2-[[(4-chlorophenyl)methyl-propylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(4-chlorophenyl)methyl-propylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID50787885
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name2-[[(4-chlorophenyl)methyl-propylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCCN(Cc1ccc(Cl)cc1)Cc1cc(=O)n2ccc(C)cc2n1
InChIInChI=1S/C20H22ClN3O/c1-3-9-23(13-16-4-6-17(21)7-5-16)14-18-12-20(25)24-10-8-15(2)11-19(24)22-18/h4-8,10-12H,3,9,13-14H2,1-2H3
InChIKeyTXHGOJXXPWRHDO-UHFFFAOYSA-N
XLogP4.07
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[ethyl(3-hydroxypropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 115666446
7-chloro-2-[[(3,4-dimethoxyphenyl)methyl-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 50787841
2-[[(4-chlorophenyl)methyl-ethylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 50787833
2-[[ethyl-[(4-methylphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 50787902
2-[[2,1,3-benzothiadiazol-5-ylmethyl(methyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 91834628
2-[[(3,4-dimethoxyphenyl)methyl-(2-methylpropyl)amino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 50787975
7-[[(4-chlorophenyl)methyl-propylamino]methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 50802654
2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 24576586
methyl 2-[methyl-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetate
CID 60660188
7-[[(4-methylphenyl)methyl-propylamino]methyl]-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 50803650
2-[(4-chloro-N-propan-2-ylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 166180665
2-[[(4-bromophenyl)methyl-methylamino]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 18088063

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-chlorophenyl)methyl-propylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(4-chlorophenyl)methyl-propylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (CID 50787885) is 2-[[(4-chlorophenyl)methyl-propylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(4-chlorophenyl)methyl-propylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(4-chlorophenyl)methyl-propylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is CCCN(Cc1ccc(Cl)cc1)Cc1cc(=O)n2ccc(C)cc2n1.
What is the InChIKey of 2-[[(4-chlorophenyl)methyl-propylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is TXHGOJXXPWRHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O/c1-3-9-23(13-16-4-6-17(21)7-5-16)14-18-12-20(25)24-10-8-15(2)11-19(24)22-18/h4-8,10-12H,3,9,13-14H2,1-2H3.
What are the key properties of 2-[[(4-chlorophenyl)methyl-propylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[(4-chlorophenyl)methyl-propylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 355.87 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-chlorophenyl)methyl-propylamino]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 50787885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).