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

C16H20N2S — CID 106478164

IUPAC6-ethyl-5-methyl-2-(2-phenylpropan-2-yl)-1H-pyrimidine-4-thione
SMILESCCc1[nH]c(C(C)(C)c2ccccc2)nc(=S)c1C
InChIInChI=1S/C16H20N2S/c1-5-13-11(2)14(19)18-15(17-13)16(3,4)12-9-7-6-8-10-12/h6-10H,5H2,1-4H3,(H,17,18,19)
InChIKeyISEAVFKYAJWTHH-UHFFFAOYSA-N
MW272.42 g/mol
LogP4.34
Rot. Bonds3

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

6-ethyl-5-methyl-2-(2-phenylpropan-2-yl)-1H-pyrimidine-4-thione (PubChem CID 106478164) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 6-ethyl-5-methyl-2-(2-phenylpropan-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-ethyl-5-methyl-2-(2-phenylpropan-2-yl)-1H-pyrimidine-4-thione
PubChem CID106478164
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name6-ethyl-5-methyl-2-(2-phenylpropan-2-yl)-1H-pyrimidine-4-thione
SMILESCCc1[nH]c(C(C)(C)c2ccccc2)nc(=S)c1C
InChIInChI=1S/C16H20N2S/c1-5-13-11(2)14(19)18-15(17-13)16(3,4)12-9-7-6-8-10-12/h6-10H,5H2,1-4H3,(H,17,18,19)
InChIKeyISEAVFKYAJWTHH-UHFFFAOYSA-N
XLogP4.34
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 54.34
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-(2-ethoxybutan-2-yl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106478129
6-methyl-2-(2-phenylpropan-2-yl)-1H-pyrimidine-4-thione
CID 106475639
6-ethyl-5-methyl-2-(phenylsulfanylmethyl)-1H-pyrimidine-4-thione
CID 106478199
2-(1H-benzimidazol-2-ylmethyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106478147
6-ethyl-5-methyl-2-(4-methylquinolin-2-yl)-1H-pyrimidine-4-thione
CID 106478144
2-tert-butyl-6-(3-ethylphenyl)-5-methyl-1H-pyrimidine-4-thione
CID 106519370
2-[(4-chlorophenyl)methyl]-6-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106478260
2-(1-benzofuran-3-yl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106478294
2-(3-bromo-2-pyridinyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106478101
2-(2,2-dimethylcyclopropyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 107924895
6-ethyl-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione
CID 106478316
2-(2-methoxypropan-2-yl)-5-methyl-6-phenyl-1H-pyrimidine-4-thione
CID 106482330

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-2-(2-phenylpropan-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-ethyl-5-methyl-2-(2-phenylpropan-2-yl)-1H-pyrimidine-4-thione (CID 106478164) is 6-ethyl-5-methyl-2-(2-phenylpropan-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-ethyl-5-methyl-2-(2-phenylpropan-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-ethyl-5-methyl-2-(2-phenylpropan-2-yl)-1H-pyrimidine-4-thione is CCc1[nH]c(C(C)(C)c2ccccc2)nc(=S)c1C.
What is the InChIKey of 6-ethyl-5-methyl-2-(2-phenylpropan-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is ISEAVFKYAJWTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-5-13-11(2)14(19)18-15(17-13)16(3,4)12-9-7-6-8-10-12/h6-10H,5H2,1-4H3,(H,17,18,19).
What are the key properties of 6-ethyl-5-methyl-2-(2-phenylpropan-2-yl)-1H-pyrimidine-4-thione?
6-ethyl-5-methyl-2-(2-phenylpropan-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 272.42 g/mol, XLogP of 4.34, 3 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-(2-phenylpropan-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106478164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).