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

C10H14N2S — CID 106475552

IUPAC2-cyclopentyl-6-methyl-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(C2CCCC2)[nH]1
InChIInChI=1S/C10H14N2S/c1-7-6-9(13)12-10(11-7)8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,11,12,13)
InChIKeyRHSMGYYGZLNOPL-UHFFFAOYSA-N
MW194.30 g/mol
LogP3.11
Rot. Bonds1

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

2-cyclopentyl-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106475552) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-cyclopentyl-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-cyclopentyl-6-methyl-1H-pyrimidine-4-thione
PubChem CID106475552
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name2-cyclopentyl-6-methyl-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(C2CCCC2)[nH]1
InChIInChI=1S/C10H14N2S/c1-7-6-9(13)12-10(11-7)8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,11,12,13)
InChIKeyRHSMGYYGZLNOPL-UHFFFAOYSA-N
XLogP3.11
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 53.11
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

6-cyclopentyl-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-4-thione
CID 106481857
6-cyclopentyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione
CID 113839854
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
2-cyclohexyl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475407
2-(3-methylcyclopentyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475415
2-(3-ethylcyclopentyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475492
6-methyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione
CID 106475556
2-(4-ethylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475560
2-(4,4-dimethylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475561

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-cyclopentyl-6-methyl-1H-pyrimidine-4-thione (CID 106475552) is 2-cyclopentyl-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-cyclopentyl-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-cyclopentyl-6-methyl-1H-pyrimidine-4-thione is Cc1cc(=S)nc(C2CCCC2)[nH]1.
What is the InChIKey of 2-cyclopentyl-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is RHSMGYYGZLNOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-7-6-9(13)12-10(11-7)8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,11,12,13).
What are the key properties of 2-cyclopentyl-6-methyl-1H-pyrimidine-4-thione?
2-cyclopentyl-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 194.30 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).