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

C11H17N3S — CID 82457090

IUPAC6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione
SMILESCC1CCCCC1Nc1cc(=S)nc[nH]1
InChIInChI=1S/C11H17N3S/c1-8-4-2-3-5-9(8)14-10-6-11(15)13-7-12-10/h6-9H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyUOASRUBNDDTHLY-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.13
Rot. Bonds2

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

6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione (PubChem CID 82457090) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione
PubChem CID82457090
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione
SMILESCC1CCCCC1Nc1cc(=S)nc[nH]1
InChIInChI=1S/C11H17N3S/c1-8-4-2-3-5-9(8)14-10-6-11(15)13-7-12-10/h6-9H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyUOASRUBNDDTHLY-UHFFFAOYSA-N
XLogP3.13
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N,4-dimethyl-6-N-(4-methylcyclohexyl)-1H-pyrimidine-4,6-diamine
CID 152780334
6-(cyclohexylamino)-1H-pyrimidine-4-thione
CID 82457114
2-methyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione
CID 82457154
2-ethyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione
CID 82457216
6-[(2-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidine-4-thione
CID 82457277
6-[(2-methylcyclohexyl)amino]-2-propyl-1H-pyrimidine-4-thione
CID 82457334
2-tert-butyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione
CID 82457390
2-cyclopropyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione
CID 82457500
2-cyclohexyl-6-(methylamino)-1H-pyrimidine-4-thione
CID 82457546
2-cyclohexyl-6-(ethylamino)-1H-pyrimidine-4-thione
CID 82457547
2-cyclohexyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457548
2-cyclohexyl-6-(cyclopropylamino)-1H-pyrimidine-4-thione
CID 82457549

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione?
The IUPAC name of 6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione (CID 82457090) is 6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione?
The canonical SMILES for 6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione is CC1CCCCC1Nc1cc(=S)nc[nH]1.
What is the InChIKey of 6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione?
The InChIKey is UOASRUBNDDTHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-8-4-2-3-5-9(8)14-10-6-11(15)13-7-12-10/h6-9H,2-5H2,1H3,(H2,12,13,14,15).
What are the key properties of 6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione?
6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione has a molecular weight of 223.34 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).