2-cyclopentyl-5-ethyl-6-methyl-1H-pyrimidine-4-thione

C12H18N2S — CID 106476822

IUPAC2-cyclopentyl-5-ethyl-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(C2CCCC2)nc1=S
InChIInChI=1S/C12H18N2S/c1-3-10-8(2)13-11(14-12(10)15)9-6-4-5-7-9/h9H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyQDIYOLRCRPJRED-UHFFFAOYSA-N
MW222.36 g/mol
LogP3.67
Rot. Bonds2

About 2-cyclopentyl-5-ethyl-6-methyl-1H-pyrimidine-4-thione

2-cyclopentyl-5-ethyl-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106476822) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 2-cyclopentyl-5-ethyl-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-cyclopentyl-5-ethyl-6-methyl-1H-pyrimidine-4-thione
PubChem CID106476822
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name2-cyclopentyl-5-ethyl-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(C2CCCC2)nc1=S
InChIInChI=1S/C12H18N2S/c1-3-10-8(2)13-11(14-12(10)15)9-6-4-5-7-9/h9H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyQDIYOLRCRPJRED-UHFFFAOYSA-N
XLogP3.67
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 7541200
2-(3,3-difluorocyclopentyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 114217014
2-(3,3-difluorocyclopentyl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 114217015
2-(3,3-difluorocyclohexyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 114217016
5-bromo-2-(3,3-difluorocyclopentyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 114217020
5-methyl-2,6-di(propan-2-yl)-1H-pyrimidine-4-thione
CID 106517865
5-Ethyl-2-isopropyl-6-methyl-pyrimidine-4-thiol
CID 94077028
6-Ethyl-2-isopropyl-5-methyl-pyrimidine-4-thiol
CID 94077030
2-cyclopentyl-6-propyl-1H-pyrimidine-4-thione
CID 106475044
2-(3-methylcyclopentyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475159
2-cyclopentyl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475301
2-(3-methylbutyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475329

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-cyclopentyl-5-ethyl-6-methyl-1H-pyrimidine-4-thione (CID 106476822) is 2-cyclopentyl-5-ethyl-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-cyclopentyl-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-cyclopentyl-5-ethyl-6-methyl-1H-pyrimidine-4-thione is CCc1c(C)[nH]c(C2CCCC2)nc1=S.
What is the InChIKey of 2-cyclopentyl-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is QDIYOLRCRPJRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-3-10-8(2)13-11(14-12(10)15)9-6-4-5-7-9/h9H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 2-cyclopentyl-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
2-cyclopentyl-5-ethyl-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 222.36 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-ethyl-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).