6-(4-ethylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione

C16H20N2S — CID 106516375

IUPAC6-(4-ethylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione
SMILESCCc1ccc(-c2[nH]c(C(C)C)nc(=S)c2C)cc1
InChIInChI=1S/C16H20N2S/c1-5-12-6-8-13(9-7-12)14-11(4)16(19)18-15(17-14)10(2)3/h6-10H,5H2,1-4H3,(H,17,18,19)
InChIKeyVFADUDLNIVLWJT-UHFFFAOYSA-N
MW272.42 g/mol
LogP4.80
Rot. Bonds3

About 6-(4-ethylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione

6-(4-ethylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106516375) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(4-ethylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106516375
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name6-(4-ethylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione
SMILESCCc1ccc(-c2[nH]c(C(C)C)nc(=S)c2C)cc1
InChIInChI=1S/C16H20N2S/c1-5-12-6-8-13(9-7-12)14-11(4)16(19)18-15(17-14)10(2)3/h6-10H,5H2,1-4H3,(H,17,18,19)
InChIKeyVFADUDLNIVLWJT-UHFFFAOYSA-N
XLogP4.80
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 ≤ 54.80
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

6-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione
CID 106515067
5-methyl-2-propan-2-yl-6-thiophen-3-yl-1H-pyrimidine-4-thione
CID 106518446
6-(3-chloro-4-fluorophenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione
CID 106521028
6-(2-chlorophenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione
CID 106515442
5-methyl-2-propan-2-yl-6-(2,3,4-trifluorophenyl)-1H-pyrimidine-4-thione
CID 106517645
6-(5-fluoro-2-methoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione
CID 106518318
5-methyl-2-propan-2-yl-6-pyridin-2-yl-1H-pyrimidine-4-thione
CID 106517774
5-methyl-2-propan-2-yl-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-4-thione
CID 106516763
5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)-1H-pyrimidine-4-thione
CID 106519290
2-ethyl-5-methyl-6-pyridin-4-yl-1H-pyrimidine-4-thione
CID 106515497
2-ethyl-5-methyl-6-naphthalen-2-yl-1H-pyrimidine-4-thione
CID 106514830
6-(4-ethylphenyl)-5-methyl-1H-pyrimidine-2-thione
CID 106516412

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 6-(4-ethylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione (CID 106516375) is 6-(4-ethylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(4-ethylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(4-ethylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione is CCc1ccc(-c2[nH]c(C(C)C)nc(=S)c2C)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is VFADUDLNIVLWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-5-12-6-8-13(9-7-12)14-11(4)16(19)18-15(17-14)10(2)3/h6-10H,5H2,1-4H3,(H,17,18,19).
What are the key properties of 6-(4-ethylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione?
6-(4-ethylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 272.42 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106516375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).