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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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).