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

C15H18N2OS2 — CID 135511207

IUPAC2-cyclohexylsulfanyl-4-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(Cc2cccs2)nc(SC2CCCCC2)[nH]1
InChIInChI=1S/C15H18N2OS2/c18-14-10-11(9-13-7-4-8-19-13)16-15(17-14)20-12-5-2-1-3-6-12/h4,7-8,10,12H,1-3,5-6,9H2,(H,16,17,18)
InChIKeyPEUAHOFEUGEFSG-UHFFFAOYSA-N
MW306.46 g/mol
LogP3.85
Rot. Bonds4

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

2-cyclohexylsulfanyl-4-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 135511207) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-4-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-4-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID135511207
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC Name2-cyclohexylsulfanyl-4-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(Cc2cccs2)nc(SC2CCCCC2)[nH]1
InChIInChI=1S/C15H18N2OS2/c18-14-10-11(9-13-7-4-8-19-13)16-15(17-14)20-12-5-2-1-3-6-12/h4,7-8,10,12H,1-3,5-6,9H2,(H,16,17,18)
InChIKeyPEUAHOFEUGEFSG-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

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Related Compounds

6-Amino-2-{[2-(phenylthio)ethyl]thio}-4-pyrimidinol
CID 135547407
2-Methylsulfanyl imidazol-4-one, 8
CID 135932619
2-[(4-Hydroxy-6-methylpyrimidin-2-YL)sulfanyl]-1-(thiophen-2-YL)ethanone
CID 135407493
2-(Cyclohexylthio)-6-[(phenylthio)methyl]pyrimidin-4(3H)-one
CID 135467725
2-(Cyclopentylthio)-6-[(phenylthio)methyl]pyrimidin-4(3H)-one
CID 135496373
2-(sec-Butylthio)-6-[(phenylthio)methyl]pyrimidin-4(3H)-one
CID 135499677
2-sec-butylsulfanyl-4-(2-thienylmethyl)-1H-pyrimidin-6-one
CID 135511205
2-cyclopentylsulfanyl-4-(2-thienylmethyl)-1H-pyrimidin-6-one
CID 135511206
2-sec-butylsulfanyl-4-(3-thienylmethyl)-1H-pyrimidin-6-one
CID 135511208
2-cyclopentylsulfanyl-4-(3-thienylmethyl)-1H-pyrimidin-6-one
CID 135511209
2-cyclohexylsulfanyl-4-(3-thienylmethyl)-1H-pyrimidin-6-one
CID 135511210
(4E)-2-methylsulfanyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
CID 135445605

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-4-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclohexylsulfanyl-4-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one (CID 135511207) is 2-cyclohexylsulfanyl-4-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclohexylsulfanyl-4-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclohexylsulfanyl-4-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one is O=c1cc(Cc2cccs2)nc(SC2CCCCC2)[nH]1.
What is the InChIKey of 2-cyclohexylsulfanyl-4-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is PEUAHOFEUGEFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS2/c18-14-10-11(9-13-7-4-8-19-13)16-15(17-14)20-12-5-2-1-3-6-12/h4,7-8,10,12H,1-3,5-6,9H2,(H,16,17,18).
What are the key properties of 2-cyclohexylsulfanyl-4-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one?
2-cyclohexylsulfanyl-4-(thiophen-2-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-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135511207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).