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

C14H16N2OS2 — CID 135511209

IUPAC2-cyclopentylsulfanyl-4-(thiophen-3-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(Cc2ccsc2)nc(SC2CCCC2)[nH]1
InChIInChI=1S/C14H16N2OS2/c17-13-8-11(7-10-5-6-18-9-10)15-14(16-13)19-12-3-1-2-4-12/h5-6,8-9,12H,1-4,7H2,(H,15,16,17)
InChIKeyLMJNHRJROXEBCG-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.46
Rot. Bonds4

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

2-cyclopentylsulfanyl-4-(thiophen-3-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 135511209) has the molecular formula C14H16N2OS2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-4-(thiophen-3-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-4-(thiophen-3-ylmethyl)-1H-pyrimidin-6-one
PubChem CID135511209
Molecular FormulaC14H16N2OS2
Molecular Weight292.43 g/mol
Exact Mass292.07
IUPAC Name2-cyclopentylsulfanyl-4-(thiophen-3-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(Cc2ccsc2)nc(SC2CCCC2)[nH]1
InChIInChI=1S/C14H16N2OS2/c17-13-8-11(7-10-5-6-18-9-10)15-14(16-13)19-12-3-1-2-4-12/h5-6,8-9,12H,1-4,7H2,(H,15,16,17)
InChIKeyLMJNHRJROXEBCG-UHFFFAOYSA-N
XLogP3.46
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-cyclohexylsulfanyl-4-(3-thienylmethyl)-1H-pyrimidin-6-one
CID 135511210
5-Fluoro-6-[(thiophen-3-yl)methyl]-3,4-dihydropyrimidin-4-one
CID 168017561
5-methyl-2-(2-methylsulfanylethylsulfanyl)-4-(2-thienylmethyl)-1H-pyrimidin-6-one
CID 136354359
4-methyl-2-[(3-methylthiophen-2-yl)methylsulfanyl]-1H-pyrimidin-6-one
CID 139472184
7-Ethyl-2-(2-thiophen-3-ylethylamino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 45833724
2-(2-amino-1-thiophen-3-ylethyl)sulfanyl-1H-pyrimidin-6-one
CID 61624565
2-(2-amino-1-thiophen-3-ylpropyl)sulfanyl-1H-pyrimidin-6-one
CID 61624566
2-(2-amino-1-thiophen-3-ylbutyl)sulfanyl-1H-pyrimidin-6-one
CID 61624567

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-4-(thiophen-3-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopentylsulfanyl-4-(thiophen-3-ylmethyl)-1H-pyrimidin-6-one (CID 135511209) is 2-cyclopentylsulfanyl-4-(thiophen-3-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopentylsulfanyl-4-(thiophen-3-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopentylsulfanyl-4-(thiophen-3-ylmethyl)-1H-pyrimidin-6-one is O=c1cc(Cc2ccsc2)nc(SC2CCCC2)[nH]1.
What is the InChIKey of 2-cyclopentylsulfanyl-4-(thiophen-3-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is LMJNHRJROXEBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS2/c17-13-8-11(7-10-5-6-18-9-10)15-14(16-13)19-12-3-1-2-4-12/h5-6,8-9,12H,1-4,7H2,(H,15,16,17).
What are the key properties of 2-cyclopentylsulfanyl-4-(thiophen-3-ylmethyl)-1H-pyrimidin-6-one?
2-cyclopentylsulfanyl-4-(thiophen-3-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 292.43 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-4-(thiophen-3-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135511209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).