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

C14H21N3S — CID 82457500

IUPAC2-cyclopropyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione
SMILESCC1CCCCC1Nc1cc(=S)nc(C2CC2)[nH]1
InChIInChI=1S/C14H21N3S/c1-9-4-2-3-5-11(9)15-12-8-13(18)17-14(16-12)10-6-7-10/h8-11H,2-7H2,1H3,(H2,15,16,17,18)
InChIKeyORULFXZAWWRUOQ-UHFFFAOYSA-N
MW263.41 g/mol
LogP4.01
Rot. Bonds3

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

2-cyclopropyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione (PubChem CID 82457500) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-cyclopropyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-cyclopropyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione
PubChem CID82457500
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name2-cyclopropyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione
SMILESCC1CCCCC1Nc1cc(=S)nc(C2CC2)[nH]1
InChIInChI=1S/C14H21N3S/c1-9-4-2-3-5-11(9)15-12-8-13(18)17-14(16-12)10-6-7-10/h8-11H,2-7H2,1H3,(H2,15,16,17,18)
InChIKeyORULFXZAWWRUOQ-UHFFFAOYSA-N
XLogP4.01
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 54.01
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-[(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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione?
The IUPAC name of 2-cyclopropyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione (CID 82457500) is 2-cyclopropyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-cyclopropyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione?
The canonical SMILES for 2-cyclopropyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione is CC1CCCCC1Nc1cc(=S)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione?
The InChIKey is ORULFXZAWWRUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-9-4-2-3-5-11(9)15-12-8-13(18)17-14(16-12)10-6-7-10/h8-11H,2-7H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-cyclopropyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione?
2-cyclopropyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione has a molecular weight of 263.41 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).