2-cyclopropyl-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione

C16H18N2S — CID 106520335

IUPAC2-cyclopropyl-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione
SMILESCc1cc(C)c(-c2cc(=S)nc(C3CC3)[nH]2)c(C)c1
InChIInChI=1S/C16H18N2S/c1-9-6-10(2)15(11(3)7-9)13-8-14(19)18-16(17-13)12-4-5-12/h6-8,12H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyWDTJXIRSDDPPLM-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.61
Rot. Bonds2

About 2-cyclopropyl-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione

2-cyclopropyl-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione (PubChem CID 106520335) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-cyclopropyl-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-cyclopropyl-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione
PubChem CID106520335
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC Name2-cyclopropyl-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione
SMILESCc1cc(C)c(-c2cc(=S)nc(C3CC3)[nH]2)c(C)c1
InChIInChI=1S/C16H18N2S/c1-9-6-10(2)15(11(3)7-9)13-8-14(19)18-16(17-13)12-4-5-12/h6-8,12H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyWDTJXIRSDDPPLM-UHFFFAOYSA-N
XLogP4.61
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.61
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-cyclopropyl-6-(3-fluoro-5-methylphenyl)-1H-pyrimidine-4-thione
CID 106519261
2-cyclopropyl-6-(4-methyl-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106518933
2-(4-methylcyclohexyl)-6-phenyl-1H-pyrimidine-4-thione
CID 106474873
2-cyclopropyl-6-[4-(dimethylamino)phenyl]-1H-pyrimidine-4-thione
CID 106513952
2-cyclobutyl-6-methyl-1H-pyrimidine-4-thione
CID 106475707
2-(methoxymethyl)-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione
CID 106520354
2-cyclopropyl-6-(5-methoxy-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106520603
2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106515800
2-cyclopropyl-6-(3-ethoxyphenyl)-1H-pyrimidine-4-thione
CID 106519885
2-cycloheptyl-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione
CID 106716429
6-(1-benzothiophen-7-yl)-2-cyclopropyl-1H-pyrimidine-4-thione
CID 106519826
2-cycloheptyl-4,6-dimethyl-1H-benzimidazole
CID 82946449

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-cyclopropyl-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione (CID 106520335) is 2-cyclopropyl-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-cyclopropyl-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-cyclopropyl-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione is Cc1cc(C)c(-c2cc(=S)nc(C3CC3)[nH]2)c(C)c1.
What is the InChIKey of 2-cyclopropyl-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione?
The InChIKey is WDTJXIRSDDPPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-9-6-10(2)15(11(3)7-9)13-8-14(19)18-16(17-13)12-4-5-12/h6-8,12H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of 2-cyclopropyl-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione?
2-cyclopropyl-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione has a molecular weight of 270.40 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106520335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).