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

C12H19N3S — CID 82457154

IUPAC2-methyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione
SMILESCc1nc(=S)cc(NC2CCCCC2C)[nH]1
InChIInChI=1S/C12H19N3S/c1-8-5-3-4-6-10(8)15-11-7-12(16)14-9(2)13-11/h7-8,10H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyRMPNYKQMAMFORR-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.44
Rot. Bonds2

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

2-methyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione (PubChem CID 82457154) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-methyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-methyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione
PubChem CID82457154
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name2-methyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione
SMILESCc1nc(=S)cc(NC2CCCCC2C)[nH]1
InChIInChI=1S/C12H19N3S/c1-8-5-3-4-6-10(8)15-11-7-12(16)14-9(2)13-11/h7-8,10H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyRMPNYKQMAMFORR-UHFFFAOYSA-N
XLogP3.44
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.44
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

6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione
CID 82457090
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-[(2-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidine-4-thione
CID 82457277
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
2-tert-butyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione
CID 82457390
2-tert-butyl-6-(cyclohexylamino)-1H-pyrimidine-4-thione
CID 82457410
2-(methoxymethyl)-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione
CID 82457443

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione?
The IUPAC name of 2-methyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione (CID 82457154) is 2-methyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-methyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione?
The canonical SMILES for 2-methyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione is Cc1nc(=S)cc(NC2CCCCC2C)[nH]1.
What is the InChIKey of 2-methyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione?
The InChIKey is RMPNYKQMAMFORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-8-5-3-4-6-10(8)15-11-7-12(16)14-9(2)13-11/h7-8,10H,3-6H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-methyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione?
2-methyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione has a molecular weight of 237.37 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).