6-[(2-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidine-4-thione

C14H23N3S — CID 82457277

IUPAC6-[(2-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1nc(=S)cc(NC2CCCCC2C)[nH]1
InChIInChI=1S/C14H23N3S/c1-9(2)14-16-12(8-13(18)17-14)15-11-7-5-4-6-10(11)3/h8-11H,4-7H2,1-3H3,(H2,15,16,17,18)
InChIKeyIYGSAACMPFOFMB-UHFFFAOYSA-N
MW265.43 g/mol
LogP4.25
Rot. Bonds3

About 6-[(2-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidine-4-thione

6-[(2-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 82457277) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 6-[(2-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-[(2-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID82457277
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name6-[(2-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1nc(=S)cc(NC2CCCCC2C)[nH]1
InChIInChI=1S/C14H23N3S/c1-9(2)14-16-12(8-13(18)17-14)15-11-7-5-4-6-10(11)3/h8-11H,4-7H2,1-3H3,(H2,15,16,17,18)
InChIKeyIYGSAACMPFOFMB-UHFFFAOYSA-N
XLogP4.25
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[(2-methylcyclohexyl)amino]-2-propan-2-yl-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

6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione
CID 82457090
2-methyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione
CID 82457154
6-(cyclohexylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457177
2-ethyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione
CID 82457216
6-(cyclohexylamino)-2-ethyl-1H-pyrimidine-4-thione
CID 82457239
6-(cycloheptylamino)-2-ethyl-1H-pyrimidine-4-thione
CID 82457248
6-(hexylamino)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 82457268
6-(cyclopentylamino)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 82457286
6-(cyclohexylamino)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 82457299
6-(cycloheptylamino)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 82457306
6-[(2-methylcyclohexyl)amino]-2-propyl-1H-pyrimidine-4-thione
CID 82457334
6-(cyclohexylamino)-2-propyl-1H-pyrimidine-4-thione
CID 82457356

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 6-[(2-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidine-4-thione (CID 82457277) is 6-[(2-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-[(2-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-[(2-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidine-4-thione is CC(C)c1nc(=S)cc(NC2CCCCC2C)[nH]1.
What is the InChIKey of 6-[(2-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is IYGSAACMPFOFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-9(2)14-16-12(8-13(18)17-14)15-11-7-5-4-6-10(11)3/h8-11H,4-7H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 6-[(2-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidine-4-thione?
6-[(2-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 265.43 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).