2-cyclohexylsulfanyl-4-(thiophen-3-ylmethyl)-1H-pyrimidin-6-one

C15H18N2OS2 — CID 135511210

IUPAC2-cyclohexylsulfanyl-4-(thiophen-3-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(Cc2ccsc2)nc(SC2CCCCC2)[nH]1
InChIInChI=1S/C15H18N2OS2/c18-14-9-12(8-11-6-7-19-10-11)16-15(17-14)20-13-4-2-1-3-5-13/h6-7,9-10,13H,1-5,8H2,(H,16,17,18)
InChIKeyITMWIZNBNXWTQJ-UHFFFAOYSA-N
MW306.46 g/mol
LogP3.85
Rot. Bonds4

About 2-cyclohexylsulfanyl-4-(thiophen-3-ylmethyl)-1H-pyrimidin-6-one

2-cyclohexylsulfanyl-4-(thiophen-3-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 135511210) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-4-(thiophen-3-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-4-(thiophen-3-ylmethyl)-1H-pyrimidin-6-one
PubChem CID135511210
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC Name2-cyclohexylsulfanyl-4-(thiophen-3-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(Cc2ccsc2)nc(SC2CCCCC2)[nH]1
InChIInChI=1S/C15H18N2OS2/c18-14-9-12(8-11-6-7-19-10-11)16-15(17-14)20-13-4-2-1-3-5-13/h6-7,9-10,13H,1-5,8H2,(H,16,17,18)
InChIKeyITMWIZNBNXWTQJ-UHFFFAOYSA-N
XLogP3.85
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclohexylsulfanyl-4-(thiophen-3-ylmethyl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-sec-butylsulfanyl-4-(2-thienylmethyl)-1H-pyrimidin-6-one
CID 135511205
2-cyclopentylsulfanyl-4-(2-thienylmethyl)-1H-pyrimidin-6-one
CID 135511206
2-cyclohexylsulfanyl-4-(2-thienylmethyl)-1H-pyrimidin-6-one
CID 135511207
2-sec-butylsulfanyl-4-(3-thienylmethyl)-1H-pyrimidin-6-one
CID 135511208
2-cyclopentylsulfanyl-4-(3-thienylmethyl)-1H-pyrimidin-6-one
CID 135511209
5-methyl-2-(2-methylsulfanylethylsulfanyl)-4-(2-thienylmethyl)-1H-pyrimidin-6-one
CID 136354359
5-methyl-2-(phenylsulfanylmethylsulfanyl)-4-(2-thienylmethyl)-1H-pyrimidin-6-one
CID 136354360
2-Allylthio-5-isopropyl-6-(thien-2-ylmethyl)-pyrimidin-4(3h)-one
CID 135407383
5-Isopropyl-2-methylthio-6-(thien-2-ylmethyl)-pyrimidine-4(3h)-one
CID 135463667
4-methyl-2-(2-thiophen-3-ylethyl)-1H-pyrimidin-6-one
CID 136635300
2-[(3-methylphenyl)methylsulfanyl]-4-thiophen-2-yl-1H-pyrimidin-6-one
CID 137142873
2-[[5-[(Z)-but-1-en-3-ynyl]-4-methylthiophen-2-yl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 139472115

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-4-(thiophen-3-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclohexylsulfanyl-4-(thiophen-3-ylmethyl)-1H-pyrimidin-6-one (CID 135511210) is 2-cyclohexylsulfanyl-4-(thiophen-3-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclohexylsulfanyl-4-(thiophen-3-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclohexylsulfanyl-4-(thiophen-3-ylmethyl)-1H-pyrimidin-6-one is O=c1cc(Cc2ccsc2)nc(SC2CCCCC2)[nH]1.
What is the InChIKey of 2-cyclohexylsulfanyl-4-(thiophen-3-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is ITMWIZNBNXWTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS2/c18-14-9-12(8-11-6-7-19-10-11)16-15(17-14)20-13-4-2-1-3-5-13/h6-7,9-10,13H,1-5,8H2,(H,16,17,18).
What are the key properties of 2-cyclohexylsulfanyl-4-(thiophen-3-ylmethyl)-1H-pyrimidin-6-one?
2-cyclohexylsulfanyl-4-(thiophen-3-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 306.46 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-4-(thiophen-3-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135511210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).