2-(1-ethoxy-3-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione

C14H22N2OS — CID 106475658

IUPAC2-(1-ethoxy-3-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCCOC1(c2nc(=S)cc(C)[nH]2)CCCC(C)C1
InChIInChI=1S/C14H22N2OS/c1-4-17-14(7-5-6-10(2)9-14)13-15-11(3)8-12(18)16-13/h8,10H,4-7,9H2,1-3H3,(H,15,16,18)
InChIKeyKFHLTUNSGBFZTE-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.89
Rot. Bonds3

About 2-(1-ethoxy-3-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione

2-(1-ethoxy-3-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106475658) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-(1-ethoxy-3-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(1-ethoxy-3-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione
PubChem CID106475658
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-(1-ethoxy-3-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCCOC1(c2nc(=S)cc(C)[nH]2)CCCC(C)C1
InChIInChI=1S/C14H22N2OS/c1-4-17-14(7-5-6-10(2)9-14)13-15-11(3)8-12(18)16-13/h8,10H,4-7,9H2,1-3H3,(H,15,16,18)
InChIKeyKFHLTUNSGBFZTE-UHFFFAOYSA-N
XLogP3.89
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-ethoxy-3-methylcyclohexyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476927
2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 116745240
2-(1-ethoxy-3-methylcyclohexyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136963804
2-(1-ethoxycycloheptyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475213
6-ethyl-2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1H-pyrimidine-4-thione
CID 106478296
N-[[2-(1-ethoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 116779805
2-(1-ethoxy-3-methylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696180
2-(1-ethoxy-3-methylcyclohexyl)-4-propan-2-yl-1,3-thiazole
CID 116782722
2-(1-methoxy-3-methylcyclohexyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476786
N-[1-[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 116774617
4-chloro-2-(1-ethoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine
CID 116745747
N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116774721

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-3-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(1-ethoxy-3-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione (CID 106475658) is 2-(1-ethoxy-3-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(1-ethoxy-3-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(1-ethoxy-3-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione is CCOC1(c2nc(=S)cc(C)[nH]2)CCCC(C)C1.
What is the InChIKey of 2-(1-ethoxy-3-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is KFHLTUNSGBFZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-4-17-14(7-5-6-10(2)9-14)13-15-11(3)8-12(18)16-13/h8,10H,4-7,9H2,1-3H3,(H,15,16,18).
What are the key properties of 2-(1-ethoxy-3-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione?
2-(1-ethoxy-3-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 266.41 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-3-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).