7-chloro-2-[[(3-chlorophenyl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

C19H19Cl2N3O — CID 60512889

IUPAC7-chloro-2-[[(3-chlorophenyl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)N(Cc1cccc(Cl)c1)Cc1cc(=O)n2cc(Cl)ccc2n1
InChIInChI=1S/C19H19Cl2N3O/c1-13(2)23(10-14-4-3-5-15(20)8-14)12-17-9-19(25)24-11-16(21)6-7-18(24)22-17/h3-9,11,13H,10,12H2,1-2H3
InChIKeySIIQTCSMRXKZBL-UHFFFAOYSA-N
MW376.29 g/mol
LogP4.41
Rot. Bonds5

About 7-chloro-2-[[(3-chlorophenyl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

7-chloro-2-[[(3-chlorophenyl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 60512889) has the molecular formula C19H19Cl2N3O and a molecular weight of 376.29 g/mol. Its IUPAC name is 7-chloro-2-[[(3-chlorophenyl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[(3-chlorophenyl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID60512889
Molecular FormulaC19H19Cl2N3O
Molecular Weight376.29 g/mol
Exact Mass375.09
IUPAC Name7-chloro-2-[[(3-chlorophenyl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)N(Cc1cccc(Cl)c1)Cc1cc(=O)n2cc(Cl)ccc2n1
InChIInChI=1S/C19H19Cl2N3O/c1-13(2)23(10-14-4-3-5-15(20)8-14)12-17-9-19(25)24-11-16(21)6-7-18(24)22-17/h3-9,11,13H,10,12H2,1-2H3
InChIKeySIIQTCSMRXKZBL-UHFFFAOYSA-N
XLogP4.41
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one
CID 118544434
7-chloro-2-[[3-hydroxybutyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 111496900
2-[[(4-bromophenyl)methyl-methylamino]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 18088063
2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methylamino]propanoic acid
CID 62638702
2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methylamino]propanoic acid;hydrochloride
CID 119913014
2-(bromomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 81223581
2-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 115026649
7-chloro-2-[[[(1R)-1-(3,4-difluorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92784199
7-chloro-2-[[(3,4-dimethoxyphenyl)methyl-propylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 50787841
7-chloro-2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 47026029
7-chloro-2-(methylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 47263113
7-chloro-2-[[5-hydroxypentyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 107203975

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[(3-chlorophenyl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-[[(3-chlorophenyl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 60512889) is 7-chloro-2-[[(3-chlorophenyl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-[[(3-chlorophenyl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-[[(3-chlorophenyl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is CC(C)N(Cc1cccc(Cl)c1)Cc1cc(=O)n2cc(Cl)ccc2n1.
What is the InChIKey of 7-chloro-2-[[(3-chlorophenyl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SIIQTCSMRXKZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O/c1-13(2)23(10-14-4-3-5-15(20)8-14)12-17-9-19(25)24-11-16(21)6-7-18(24)22-17/h3-9,11,13H,10,12H2,1-2H3.
What are the key properties of 7-chloro-2-[[(3-chlorophenyl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-[[(3-chlorophenyl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 376.29 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[(3-chlorophenyl)methyl-propan-2-ylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 60512889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).