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

C14H23N3S — CID 82457334

IUPAC6-[(2-methylcyclohexyl)amino]-2-propyl-1H-pyrimidine-4-thione
SMILESCCCc1nc(=S)cc(NC2CCCCC2C)[nH]1
InChIInChI=1S/C14H23N3S/c1-3-6-12-16-13(9-14(18)17-12)15-11-8-5-4-7-10(11)2/h9-11H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyOKNJAYCMFXNTLY-UHFFFAOYSA-N
MW265.43 g/mol
LogP4.08
Rot. Bonds4

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

6-[(2-methylcyclohexyl)amino]-2-propyl-1H-pyrimidine-4-thione (PubChem CID 82457334) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 6-[(2-methylcyclohexyl)amino]-2-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-[(2-methylcyclohexyl)amino]-2-propyl-1H-pyrimidine-4-thione
PubChem CID82457334
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name6-[(2-methylcyclohexyl)amino]-2-propyl-1H-pyrimidine-4-thione
SMILESCCCc1nc(=S)cc(NC2CCCCC2C)[nH]1
InChIInChI=1S/C14H23N3S/c1-3-6-12-16-13(9-14(18)17-12)15-11-8-5-4-7-10(11)2/h9-11H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyOKNJAYCMFXNTLY-UHFFFAOYSA-N
XLogP4.08
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 54.08
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
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-[(2-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidine-4-thione
CID 82457277
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-(cyclohexylamino)-2-propyl-1H-pyrimidine-4-thione
CID 82457356

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylcyclohexyl)amino]-2-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-[(2-methylcyclohexyl)amino]-2-propyl-1H-pyrimidine-4-thione (CID 82457334) is 6-[(2-methylcyclohexyl)amino]-2-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-[(2-methylcyclohexyl)amino]-2-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-[(2-methylcyclohexyl)amino]-2-propyl-1H-pyrimidine-4-thione is CCCc1nc(=S)cc(NC2CCCCC2C)[nH]1.
What is the InChIKey of 6-[(2-methylcyclohexyl)amino]-2-propyl-1H-pyrimidine-4-thione?
The InChIKey is OKNJAYCMFXNTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-3-6-12-16-13(9-14(18)17-12)15-11-8-5-4-7-10(11)2/h9-11H,3-8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 6-[(2-methylcyclohexyl)amino]-2-propyl-1H-pyrimidine-4-thione?
6-[(2-methylcyclohexyl)amino]-2-propyl-1H-pyrimidine-4-thione has a molecular weight of 265.43 g/mol, XLogP of 4.08, 4 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-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).