5-ethyl-6-methyl-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione

C16H26N2S — CID 106476911

IUPAC5-ethyl-6-methyl-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(C2CCC(C(C)C)CC2)nc1=S
InChIInChI=1S/C16H26N2S/c1-5-14-11(4)17-15(18-16(14)19)13-8-6-12(7-9-13)10(2)3/h10,12-13H,5-9H2,1-4H3,(H,17,18,19)
InChIKeyHQUDEHROZZJXCL-UHFFFAOYSA-N
MW278.46 g/mol
LogP4.94
Rot. Bonds3

About 5-ethyl-6-methyl-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione

5-ethyl-6-methyl-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione (PubChem CID 106476911) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 5-ethyl-6-methyl-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-ethyl-6-methyl-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione
PubChem CID106476911
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name5-ethyl-6-methyl-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(C2CCC(C(C)C)CC2)nc1=S
InChIInChI=1S/C16H26N2S/c1-5-14-11(4)17-15(18-16(14)19)13-8-6-12(7-9-13)10(2)3/h10,12-13H,5-9H2,1-4H3,(H,17,18,19)
InChIKeyHQUDEHROZZJXCL-UHFFFAOYSA-N
XLogP4.94
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(3,3-difluorocyclohexyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 114217016
2-(4-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475050
2-(4,4-dimethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475055
2-(4-propan-2-ylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475128
2-(4-tert-butylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475200
6-propyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione
CID 106475237
2-(3-ethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475279
2-(4-methylcyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475306
2-(4-ethylcyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475310
6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione
CID 106475386
2-cyclohexyl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475407
2-(4-tert-butylcyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475453

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methyl-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione?
The IUPAC name of 5-ethyl-6-methyl-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione (CID 106476911) is 5-ethyl-6-methyl-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-ethyl-6-methyl-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5-ethyl-6-methyl-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione is CCc1c(C)[nH]c(C2CCC(C(C)C)CC2)nc1=S.
What is the InChIKey of 5-ethyl-6-methyl-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione?
The InChIKey is HQUDEHROZZJXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-5-14-11(4)17-15(18-16(14)19)13-8-6-12(7-9-13)10(2)3/h10,12-13H,5-9H2,1-4H3,(H,17,18,19).
What are the key properties of 5-ethyl-6-methyl-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione?
5-ethyl-6-methyl-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione has a molecular weight of 278.46 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyl-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).