3-methyl-2-methylsulfanyl-5-phenylmethoxypyrimidin-4-one

C13H14N2O2S — CID 165352781

IUPAC3-methyl-2-methylsulfanyl-5-phenylmethoxypyrimidin-4-one
SMILESCSc1ncc(OCc2ccccc2)c(=O)n1C
InChIInChI=1S/C13H14N2O2S/c1-15-12(16)11(8-14-13(15)18-2)17-9-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3
InChIKeyNTPBMAJHNGSIQD-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.08
Rot. Bonds4

About 3-methyl-2-methylsulfanyl-5-phenylmethoxypyrimidin-4-one

3-methyl-2-methylsulfanyl-5-phenylmethoxypyrimidin-4-one (PubChem CID 165352781) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-methyl-2-methylsulfanyl-5-phenylmethoxypyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-methylsulfanyl-5-phenylmethoxypyrimidin-4-one
PubChem CID165352781
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name3-methyl-2-methylsulfanyl-5-phenylmethoxypyrimidin-4-one
SMILESCSc1ncc(OCc2ccccc2)c(=O)n1C
InChIInChI=1S/C13H14N2O2S/c1-15-12(16)11(8-14-13(15)18-2)17-9-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3
InChIKeyNTPBMAJHNGSIQD-UHFFFAOYSA-N
XLogP2.08
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-methyl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
CID 157197149
3-bromo-1,6-dimethyl-4-phenylmethoxypyridin-2-one
CID 169449042
1,3-dimethyl-4-phenylmethoxypyridin-2-one;ethane
CID 156637776
1,3-dimethyl-4-phenylmethoxybenzimidazol-2-one
CID 70827960
2-[(E)-C-methyl-N-sulfanylcarbonimidoyl]-5-phenylmethoxy-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 178136608
4-methylsulfanyl-5-phenylmethoxy-1H-pyridin-2-one
CID 166675925
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
1-benzyl-5-methyl-2-methylsulfanylimidazole
CID 58970640
1-(2-methoxy-2-oxoethyl)-2-methylsulfanyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylic acid
CID 18442517
6-amino-5-[(benzylamino)methyl]-3-methyl-2-methylsulfanylpyrimidin-4-one
CID 54613331
5-(4-methoxyphenyl)-1-methyl-3-phenylmethoxy-6-pyridin-4-ylpyridin-2-one
CID 11036747
5-ethyl-2-methyl-4-phenylmethoxy-1H-pyrazol-3-one
CID 118244689

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylsulfanyl-5-phenylmethoxypyrimidin-4-one?
The IUPAC name of 3-methyl-2-methylsulfanyl-5-phenylmethoxypyrimidin-4-one (CID 165352781) is 3-methyl-2-methylsulfanyl-5-phenylmethoxypyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-methylsulfanyl-5-phenylmethoxypyrimidin-4-one?
The canonical SMILES for 3-methyl-2-methylsulfanyl-5-phenylmethoxypyrimidin-4-one is CSc1ncc(OCc2ccccc2)c(=O)n1C.
What is the InChIKey of 3-methyl-2-methylsulfanyl-5-phenylmethoxypyrimidin-4-one?
The InChIKey is NTPBMAJHNGSIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-15-12(16)11(8-14-13(15)18-2)17-9-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3.
What are the key properties of 3-methyl-2-methylsulfanyl-5-phenylmethoxypyrimidin-4-one?
3-methyl-2-methylsulfanyl-5-phenylmethoxypyrimidin-4-one has a molecular weight of 262.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylsulfanyl-5-phenylmethoxypyrimidin-4-one is sourced from PubChem (CID 165352781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).