6-(butan-2-ylamino)-2-cyclohexyl-1H-pyrimidine-4-thione

C14H23N3S — CID 82457567

IUPAC6-(butan-2-ylamino)-2-cyclohexyl-1H-pyrimidine-4-thione
SMILESCCC(C)Nc1cc(=S)nc(C2CCCCC2)[nH]1
InChIInChI=1S/C14H23N3S/c1-3-10(2)15-12-9-13(18)17-14(16-12)11-7-5-4-6-8-11/h9-11H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyUETSKIBBTRHJBY-UHFFFAOYSA-N
MW265.43 g/mol
LogP4.40
Rot. Bonds4

About 6-(butan-2-ylamino)-2-cyclohexyl-1H-pyrimidine-4-thione

6-(butan-2-ylamino)-2-cyclohexyl-1H-pyrimidine-4-thione (PubChem CID 82457567) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 6-(butan-2-ylamino)-2-cyclohexyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(butan-2-ylamino)-2-cyclohexyl-1H-pyrimidine-4-thione
PubChem CID82457567
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name6-(butan-2-ylamino)-2-cyclohexyl-1H-pyrimidine-4-thione
SMILESCCC(C)Nc1cc(=S)nc(C2CCCCC2)[nH]1
InChIInChI=1S/C14H23N3S/c1-3-10(2)15-12-9-13(18)17-14(16-12)11-7-5-4-6-8-11/h9-11H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyUETSKIBBTRHJBY-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
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

2-(cyclohexylmethyl)-5-methanimidoyl-6-(pentan-3-ylamino)-1H-pyrimidine-4-thione
CID 136444155
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-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione
CID 82457211
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
2-propan-2-yl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione
CID 82457272
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

Frequently Asked Questions

What is the IUPAC name of 6-(butan-2-ylamino)-2-cyclohexyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-(butan-2-ylamino)-2-cyclohexyl-1H-pyrimidine-4-thione (CID 82457567) is 6-(butan-2-ylamino)-2-cyclohexyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(butan-2-ylamino)-2-cyclohexyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(butan-2-ylamino)-2-cyclohexyl-1H-pyrimidine-4-thione is CCC(C)Nc1cc(=S)nc(C2CCCCC2)[nH]1.
What is the InChIKey of 6-(butan-2-ylamino)-2-cyclohexyl-1H-pyrimidine-4-thione?
The InChIKey is UETSKIBBTRHJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-3-10(2)15-12-9-13(18)17-14(16-12)11-7-5-4-6-8-11/h9-11H,3-8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 6-(butan-2-ylamino)-2-cyclohexyl-1H-pyrimidine-4-thione?
6-(butan-2-ylamino)-2-cyclohexyl-1H-pyrimidine-4-thione has a molecular weight of 265.43 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butan-2-ylamino)-2-cyclohexyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).