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

C16H26N2S — CID 106478274

IUPAC6-ethyl-5-methyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione
SMILESCCCC1CCC(c2nc(=S)c(C)c(CC)[nH]2)CC1
InChIInChI=1S/C16H26N2S/c1-4-6-12-7-9-13(10-8-12)15-17-14(5-2)11(3)16(19)18-15/h12-13H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyOBCLWPSGNXBJBU-UHFFFAOYSA-N
MW278.46 g/mol
LogP5.08
Rot. Bonds4

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

6-ethyl-5-methyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione (PubChem CID 106478274) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 6-ethyl-5-methyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-ethyl-5-methyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione
PubChem CID106478274
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name6-ethyl-5-methyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione
SMILESCCCC1CCC(c2nc(=S)c(C)c(CC)[nH]2)CC1
InChIInChI=1S/C16H26N2S/c1-4-6-12-7-9-13(10-8-12)15-17-14(5-2)11(3)16(19)18-15/h12-13H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyOBCLWPSGNXBJBU-UHFFFAOYSA-N
XLogP5.08
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.46
LogP ≤ 55.08
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

5,6-dimethyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione
CID 106476764
5-ethyl-6-methyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione
CID 106477015
6-methyl-5-propan-2-yl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione
CID 106478025
6-ethyl-5-methyl-2-(3-methylcyclohexyl)-1H-pyrimidine-4-thione
CID 106478191
6-ethyl-5-methyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione
CID 106478291
2-(2,2-dimethylcyclopropyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 107924895
2-(4-propylcyclohexyl)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-4-thione
CID 106482825
6-ethyl-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione
CID 106478316
2-(4-propylcyclohexyl)-1H-pyrimidine-6-thione
CID 106476511
5-bromo-6-ethyl-2-(3-ethylcyclohexyl)-1H-pyrimidine-4-thione
CID 106479972
6-ethyl-5-methyl-2-(4-propylcyclohexyl)pyrimidin-4-amine
CID 65402391
6-cyclopropyl-5-methyl-2-propyl-1H-pyrimidine-4-thione
CID 106516192

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-ethyl-5-methyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione (CID 106478274) is 6-ethyl-5-methyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-ethyl-5-methyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-ethyl-5-methyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione is CCCC1CCC(c2nc(=S)c(C)c(CC)[nH]2)CC1.
What is the InChIKey of 6-ethyl-5-methyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione?
The InChIKey is OBCLWPSGNXBJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-4-6-12-7-9-13(10-8-12)15-17-14(5-2)11(3)16(19)18-15/h12-13H,4-10H2,1-3H3,(H,17,18,19).
What are the key properties of 6-ethyl-5-methyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione?
6-ethyl-5-methyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione has a molecular weight of 278.46 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106478274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).