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

C15H25N3S — CID 82457390

IUPAC2-tert-butyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione
SMILESCC1CCCCC1Nc1cc(=S)nc(C(C)(C)C)[nH]1
InChIInChI=1S/C15H25N3S/c1-10-7-5-6-8-11(10)16-12-9-13(19)18-14(17-12)15(2,3)4/h9-11H,5-8H2,1-4H3,(H2,16,17,18,19)
InChIKeyMRLIOGGKIAERPT-UHFFFAOYSA-N
MW279.45 g/mol
LogP4.43
Rot. Bonds2

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

2-tert-butyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione (PubChem CID 82457390) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-tert-butyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-tert-butyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione
PubChem CID82457390
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name2-tert-butyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione
SMILESCC1CCCCC1Nc1cc(=S)nc(C(C)(C)C)[nH]1
InChIInChI=1S/C15H25N3S/c1-10-7-5-6-8-11(10)16-12-9-13(19)18-14(17-12)15(2,3)4/h9-11H,5-8H2,1-4H3,(H2,16,17,18,19)
InChIKeyMRLIOGGKIAERPT-UHFFFAOYSA-N
XLogP4.43
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 54.43
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
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-(cyclohexylamino)-1H-pyrimidine-4-thione
CID 82457410
2-tert-butyl-6-(cycloheptylamino)-1H-pyrimidine-4-thione
CID 82457417
2-cyclopropyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione
CID 82457500

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione?
The IUPAC name of 2-tert-butyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione (CID 82457390) is 2-tert-butyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-tert-butyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione?
The canonical SMILES for 2-tert-butyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione is CC1CCCCC1Nc1cc(=S)nc(C(C)(C)C)[nH]1.
What is the InChIKey of 2-tert-butyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione?
The InChIKey is MRLIOGGKIAERPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-10-7-5-6-8-11(10)16-12-9-13(19)18-14(17-12)15(2,3)4/h9-11H,5-8H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 2-tert-butyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione?
2-tert-butyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione has a molecular weight of 279.45 g/mol, XLogP of 4.43, 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-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).