7-chloro-2-(methylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one

C10H9ClN2OS — CID 47263113

IUPAC7-chloro-2-(methylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCSCc1cc(=O)n2cc(Cl)ccc2n1
InChIInChI=1S/C10H9ClN2OS/c1-15-6-8-4-10(14)13-5-7(11)2-3-9(13)12-8/h2-5H,6H2,1H3
InChIKeyCYLOZJQRDXWVFV-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.21
Rot. Bonds2

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

7-chloro-2-(methylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 47263113) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 7-chloro-2-(methylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-(methylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID47263113
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name7-chloro-2-(methylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCSCc1cc(=O)n2cc(Cl)ccc2n1
InChIInChI=1S/C10H9ClN2OS/c1-15-6-8-4-10(14)13-5-7(11)2-3-9(13)12-8/h2-5H,6H2,1H3
InChIKeyCYLOZJQRDXWVFV-UHFFFAOYSA-N
XLogP2.21
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.21
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-[1-(4-chlorophenyl)ethylsulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 55989165
2-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 115026649
2-(bromomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 81223581
(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl N'-aminocarbamimidothioate
CID 77059875
7-chloro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 18199846
2-[(3-amino-2-methylpropyl)sulfanylmethyl]-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 66226296
2-[(2-aminophenyl)sulfanylmethyl]-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 43248886
3-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2-methylpropanoic acid
CID 64915298
7-chloro-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 18092528
2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-N-(3,5-dimethylphenyl)acetamide
CID 46332079
7-chloro-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 78814962

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(methylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-(methylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one (CID 47263113) is 7-chloro-2-(methylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-(methylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-(methylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one is CSCc1cc(=O)n2cc(Cl)ccc2n1.
What is the InChIKey of 7-chloro-2-(methylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CYLOZJQRDXWVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c1-15-6-8-4-10(14)13-5-7(11)2-3-9(13)12-8/h2-5H,6H2,1H3.
What are the key properties of 7-chloro-2-(methylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-(methylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 240.72 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(methylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 47263113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).