2-tert-butyl-6-(cyclohexylamino)-1H-pyrimidine-4-thione

C14H23N3S — CID 82457410

IUPAC2-tert-butyl-6-(cyclohexylamino)-1H-pyrimidine-4-thione
SMILESCC(C)(C)c1nc(=S)cc(NC2CCCCC2)[nH]1
InChIInChI=1S/C14H23N3S/c1-14(2,3)13-16-11(9-12(18)17-13)15-10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3,(H2,15,16,17,18)
InChIKeySBSLBWWYRVDRLP-UHFFFAOYSA-N
MW265.43 g/mol
LogP4.18
Rot. Bonds2

About 2-tert-butyl-6-(cyclohexylamino)-1H-pyrimidine-4-thione

2-tert-butyl-6-(cyclohexylamino)-1H-pyrimidine-4-thione (PubChem CID 82457410) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 2-tert-butyl-6-(cyclohexylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-tert-butyl-6-(cyclohexylamino)-1H-pyrimidine-4-thione
PubChem CID82457410
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name2-tert-butyl-6-(cyclohexylamino)-1H-pyrimidine-4-thione
SMILESCC(C)(C)c1nc(=S)cc(NC2CCCCC2)[nH]1
InChIInChI=1S/C14H23N3S/c1-14(2,3)13-16-11(9-12(18)17-13)15-10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3,(H2,15,16,17,18)
InChIKeySBSLBWWYRVDRLP-UHFFFAOYSA-N
XLogP4.18
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 54.18
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-(cyclohexylamino)-1H-pyrimidine-4-thione
CID 82457114
6-(hexylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457144
2-methyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione
CID 82457154
2-methyl-6-(pentylamino)-1H-pyrimidine-4-thione
CID 82457172
6-(cyclohexylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457177
6-(cycloheptylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457187
2-ethyl-6-(hexylamino)-1H-pyrimidine-4-thione
CID 82457207
2-ethyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione
CID 82457216
6-(cyclopentylamino)-2-ethyl-1H-pyrimidine-4-thione
CID 82457225
6-(butan-2-ylamino)-2-ethyl-1H-pyrimidine-4-thione
CID 82457233
2-ethyl-6-(pentylamino)-1H-pyrimidine-4-thione
CID 82457234
6-(cyclohexylamino)-2-ethyl-1H-pyrimidine-4-thione
CID 82457239

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(cyclohexylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 2-tert-butyl-6-(cyclohexylamino)-1H-pyrimidine-4-thione (CID 82457410) is 2-tert-butyl-6-(cyclohexylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-tert-butyl-6-(cyclohexylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-tert-butyl-6-(cyclohexylamino)-1H-pyrimidine-4-thione is CC(C)(C)c1nc(=S)cc(NC2CCCCC2)[nH]1.
What is the InChIKey of 2-tert-butyl-6-(cyclohexylamino)-1H-pyrimidine-4-thione?
The InChIKey is SBSLBWWYRVDRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-14(2,3)13-16-11(9-12(18)17-13)15-10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-tert-butyl-6-(cyclohexylamino)-1H-pyrimidine-4-thione?
2-tert-butyl-6-(cyclohexylamino)-1H-pyrimidine-4-thione has a molecular weight of 265.43 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(cyclohexylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).