7-chloro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one

C13H14ClN3O — CID 115054647

IUPAC7-chloro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CC2CCNC2)nc2ccc(Cl)cn12
InChIInChI=1S/C13H14ClN3O/c14-10-1-2-12-16-11(5-9-3-4-15-7-9)6-13(18)17(12)8-10/h1-2,6,8-9,15H,3-5,7H2
InChIKeyPYVIXCQHFIFPIU-UHFFFAOYSA-N
MW263.73 g/mol
LogP1.50
Rot. Bonds2

About 7-chloro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one

7-chloro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 115054647) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 7-chloro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID115054647
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name7-chloro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CC2CCNC2)nc2ccc(Cl)cn12
InChIInChI=1S/C13H14ClN3O/c14-10-1-2-12-16-11(5-9-3-4-15-7-9)6-13(18)17(12)8-10/h1-2,6,8-9,15H,3-5,7H2
InChIKeyPYVIXCQHFIFPIU-UHFFFAOYSA-N
XLogP1.50
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054645
7-chloro-2-[[methyl(piperidin-4-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119912426
7-fluoro-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054690
7-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054678
2-(bromomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 81223581
2-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 115026649
8-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054694
7-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one
CID 118544434
2-[(4-aminopiperidin-1-yl)methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119907105
8-methoxy-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054699
7-chloro-2-[(3,4-dihydroxypyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 106672517
2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 62063255

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (CID 115054647) is 7-chloro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CC2CCNC2)nc2ccc(Cl)cn12.
What is the InChIKey of 7-chloro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PYVIXCQHFIFPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-10-1-2-12-16-11(5-9-3-4-15-7-9)6-13(18)17(12)8-10/h1-2,6,8-9,15H,3-5,7H2.
What are the key properties of 7-chloro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 263.73 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115054647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).