6-methyl-2-(3-methylcyclopentyl)-1H-pyrimidine-4-thione

C11H16N2S — CID 106475670

IUPAC6-methyl-2-(3-methylcyclopentyl)-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(C2CCC(C)C2)[nH]1
InChIInChI=1S/C11H16N2S/c1-7-3-4-9(5-7)11-12-8(2)6-10(14)13-11/h6-7,9H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyHGKRXDYNRWTLBJ-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.35
Rot. Bonds1

About 6-methyl-2-(3-methylcyclopentyl)-1H-pyrimidine-4-thione

6-methyl-2-(3-methylcyclopentyl)-1H-pyrimidine-4-thione (PubChem CID 106475670) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 6-methyl-2-(3-methylcyclopentyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-methyl-2-(3-methylcyclopentyl)-1H-pyrimidine-4-thione
PubChem CID106475670
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name6-methyl-2-(3-methylcyclopentyl)-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(C2CCC(C)C2)[nH]1
InChIInChI=1S/C11H16N2S/c1-7-3-4-9(5-7)11-12-8(2)6-10(14)13-11/h6-7,9H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyHGKRXDYNRWTLBJ-UHFFFAOYSA-N
XLogP3.35
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-methyl-2-(3-methylcyclopentyl)-1H-pyrimidine-4-thione 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-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
2-cyclopentyl-6-methyl-1H-pyrimidine-4-thione
CID 106475552
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
6-methyl-2-(3-methylbutyl)-1H-pyrimidine-4-thione
CID 106475582

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-methylcyclopentyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-methyl-2-(3-methylcyclopentyl)-1H-pyrimidine-4-thione (CID 106475670) is 6-methyl-2-(3-methylcyclopentyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-methyl-2-(3-methylcyclopentyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-methyl-2-(3-methylcyclopentyl)-1H-pyrimidine-4-thione is Cc1cc(=S)nc(C2CCC(C)C2)[nH]1.
What is the InChIKey of 6-methyl-2-(3-methylcyclopentyl)-1H-pyrimidine-4-thione?
The InChIKey is HGKRXDYNRWTLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-7-3-4-9(5-7)11-12-8(2)6-10(14)13-11/h6-7,9H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 6-methyl-2-(3-methylcyclopentyl)-1H-pyrimidine-4-thione?
6-methyl-2-(3-methylcyclopentyl)-1H-pyrimidine-4-thione has a molecular weight of 208.33 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-methylcyclopentyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).