2-(1-methoxy-3-methylcyclohexyl)-5,6-dimethyl-1H-pyrimidine-4-thione

C14H22N2OS — CID 106476786

IUPAC2-(1-methoxy-3-methylcyclohexyl)-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCOC1(c2nc(=S)c(C)c(C)[nH]2)CCCC(C)C1
InChIInChI=1S/C14H22N2OS/c1-9-6-5-7-14(8-9,17-4)13-15-11(3)10(2)12(18)16-13/h9H,5-8H2,1-4H3,(H,15,16,18)
InChIKeyNUWSSKXPEPKDKO-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.81
Rot. Bonds2

About 2-(1-methoxy-3-methylcyclohexyl)-5,6-dimethyl-1H-pyrimidine-4-thione

2-(1-methoxy-3-methylcyclohexyl)-5,6-dimethyl-1H-pyrimidine-4-thione (PubChem CID 106476786) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-(1-methoxy-3-methylcyclohexyl)-5,6-dimethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(1-methoxy-3-methylcyclohexyl)-5,6-dimethyl-1H-pyrimidine-4-thione
PubChem CID106476786
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-(1-methoxy-3-methylcyclohexyl)-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCOC1(c2nc(=S)c(C)c(C)[nH]2)CCCC(C)C1
InChIInChI=1S/C14H22N2OS/c1-9-6-5-7-14(8-9,17-4)13-15-11(3)10(2)12(18)16-13/h9H,5-8H2,1-4H3,(H,15,16,18)
InChIKeyNUWSSKXPEPKDKO-UHFFFAOYSA-N
XLogP3.81
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.81
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

6-ethyl-2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1H-pyrimidine-4-thione
CID 106478296
2-(1-ethoxy-3-methylcyclohexyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476927
5-bromo-2-(1-methoxycyclobutyl)-6-methyl-1H-pyrimidine-4-thione
CID 106479113
5-bromo-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidine-6-thione
CID 106480989
2-(1-ethoxy-3-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475658
5-iodo-2-(1-methoxy-3-methylcyclohexyl)-4-propyl-1H-pyrimidin-6-one
CID 136963915
2-(1-methoxy-3-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137017839
5-bromo-6-cyclopropyl-2-(1-methoxycyclohexyl)-1H-pyrimidine-4-thione
CID 106480297
2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1,3-thiazol-4-amine
CID 116782598
1-[2-(1-methoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 116774230
ethyl 2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116744479
N-[[2-(1-methoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116779851

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxy-3-methylcyclohexyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(1-methoxy-3-methylcyclohexyl)-5,6-dimethyl-1H-pyrimidine-4-thione (CID 106476786) is 2-(1-methoxy-3-methylcyclohexyl)-5,6-dimethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(1-methoxy-3-methylcyclohexyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(1-methoxy-3-methylcyclohexyl)-5,6-dimethyl-1H-pyrimidine-4-thione is COC1(c2nc(=S)c(C)c(C)[nH]2)CCCC(C)C1.
What is the InChIKey of 2-(1-methoxy-3-methylcyclohexyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
The InChIKey is NUWSSKXPEPKDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-9-6-5-7-14(8-9,17-4)13-15-11(3)10(2)12(18)16-13/h9H,5-8H2,1-4H3,(H,15,16,18).
What are the key properties of 2-(1-methoxy-3-methylcyclohexyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
2-(1-methoxy-3-methylcyclohexyl)-5,6-dimethyl-1H-pyrimidine-4-thione has a molecular weight of 266.41 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-3-methylcyclohexyl)-5,6-dimethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).