2-phenyl-4-(phenylsulfanylmethyl)-1H-pyrimidin-6-one

C17H14N2OS — CID 135472888

IUPAC2-phenyl-4-(phenylsulfanylmethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(CSc2ccccc2)nc(-c2ccccc2)[nH]1
InChIInChI=1S/C17H14N2OS/c20-16-11-14(12-21-15-9-5-2-6-10-15)18-17(19-16)13-7-3-1-4-8-13/h1-11H,12H2,(H,18,19,20)
InChIKeySRNHSNKVWUNTHL-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.73
Rot. Bonds4

About 2-phenyl-4-(phenylsulfanylmethyl)-1H-pyrimidin-6-one

2-phenyl-4-(phenylsulfanylmethyl)-1H-pyrimidin-6-one (PubChem CID 135472888) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-phenyl-4-(phenylsulfanylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-phenyl-4-(phenylsulfanylmethyl)-1H-pyrimidin-6-one
PubChem CID135472888
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name2-phenyl-4-(phenylsulfanylmethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(CSc2ccccc2)nc(-c2ccccc2)[nH]1
InChIInChI=1S/C17H14N2OS/c20-16-11-14(12-21-15-9-5-2-6-10-15)18-17(19-16)13-7-3-1-4-8-13/h1-11H,12H2,(H,18,19,20)
InChIKeySRNHSNKVWUNTHL-UHFFFAOYSA-N
XLogP3.73
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Xav-939
CID 135418940
5-Methyl-2,6-diphenyl-4-pyrimidinol
CID 135401354
2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-3H-thiopyrano[3,2-D]pyrimidin-4(6H)-one
CID 135741892
2-[4-(Trifluoromethyl)phenyl]-3,5,6,8-tetrahydrothiopyrano[3,4-d]pyrimidin-4-one
CID 136244504
AC1LF3J2
CID 135423689
6-{[(4-Chlorophenyl)sulfanyl]methyl}-2-phenyl-4-pyrimidinol
CID 135472884
2-methyl-5-{[(4-methylphenyl)sulfanyl]methyl}-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 7339995
4-(ethylsulfanylmethyl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 135545012
2-(4-fluorophenyl)-7-[2-(phenylsulfanyl)acetyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one
CID 136507757
4-phenyl-2-phenylsulfanyl-1H-pyrimidin-6-one
CID 162654497
6-(Benzylsulfanyl)-2-phenyl-5-(trifluoromethyl)pyrimidin-4-ol
CID 3591920
4-(4-methylphenyl)-2-phenyl-1H-pyrimidin-6-one
CID 136740726

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(phenylsulfanylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-phenyl-4-(phenylsulfanylmethyl)-1H-pyrimidin-6-one (CID 135472888) is 2-phenyl-4-(phenylsulfanylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-phenyl-4-(phenylsulfanylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-phenyl-4-(phenylsulfanylmethyl)-1H-pyrimidin-6-one is O=c1cc(CSc2ccccc2)nc(-c2ccccc2)[nH]1.
What is the InChIKey of 2-phenyl-4-(phenylsulfanylmethyl)-1H-pyrimidin-6-one?
The InChIKey is SRNHSNKVWUNTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c20-16-11-14(12-21-15-9-5-2-6-10-15)18-17(19-16)13-7-3-1-4-8-13/h1-11H,12H2,(H,18,19,20).
What are the key properties of 2-phenyl-4-(phenylsulfanylmethyl)-1H-pyrimidin-6-one?
2-phenyl-4-(phenylsulfanylmethyl)-1H-pyrimidin-6-one has a molecular weight of 294.38 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(phenylsulfanylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135472888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).