2-hydroxy-3-phenylsulfanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C14H14N2O2S — CID 136680481

IUPAC2-hydroxy-3-phenylsulfanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(Sc2ccccc2)c(O)nc2n1CCCC2
InChIInChI=1S/C14H14N2O2S/c17-13-12(19-10-6-2-1-3-7-10)14(18)16-9-5-4-8-11(16)15-13/h1-3,6-7,17H,4-5,8-9H2
InChIKeyOYJWWDFFYQGMPT-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.44
Rot. Bonds2

About 2-hydroxy-3-phenylsulfanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

2-hydroxy-3-phenylsulfanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 136680481) has the molecular formula C14H14N2O2S and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-hydroxy-3-phenylsulfanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-hydroxy-3-phenylsulfanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID136680481
Molecular FormulaC14H14N2O2S
Molecular Weight274.34 g/mol
Exact Mass274.08
IUPAC Name2-hydroxy-3-phenylsulfanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(Sc2ccccc2)c(O)nc2n1CCCC2
InChIInChI=1S/C14H14N2O2S/c17-13-12(19-10-6-2-1-3-7-10)14(18)16-9-5-4-8-11(16)15-13/h1-3,6-7,17H,4-5,8-9H2
InChIKeyOYJWWDFFYQGMPT-UHFFFAOYSA-N
XLogP2.44
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

16-hydroxy-15-phenylsulfanyl-18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17),13,15-pentaen-10-one
CID 3124079
4-hydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 45118325
2-hydroxy-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid
CID 136837170
1-hydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 86150310
3-methyl-2-(2-phenylethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 139716711
2,4-dihydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 11557820
2-(4-tert-butylphenyl)-3-methylsulfanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 135156118
2-[2-(2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethylsulfanyl]benzoic acid
CID 29132378
3-benzyl-6,7,8,9-tetrahydro-5H-azepino[1,2-a]purin-11-one
CID 175204721
12-oxo-N-phenyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 4816890
N-(3-tert-butylsulfanyl-2-chlorophenyl)-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide
CID 171473477
5-naphthalen-2-yl-6-oxa-1,4,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8-trien-2-one
CID 156767059

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-phenylsulfanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-hydroxy-3-phenylsulfanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 136680481) is 2-hydroxy-3-phenylsulfanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-hydroxy-3-phenylsulfanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-hydroxy-3-phenylsulfanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is O=c1c(Sc2ccccc2)c(O)nc2n1CCCC2.
What is the InChIKey of 2-hydroxy-3-phenylsulfanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is OYJWWDFFYQGMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c17-13-12(19-10-6-2-1-3-7-10)14(18)16-9-5-4-8-11(16)15-13/h1-3,6-7,17H,4-5,8-9H2.
What are the key properties of 2-hydroxy-3-phenylsulfanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
2-hydroxy-3-phenylsulfanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 274.34 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-phenylsulfanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 136680481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).