5-methyl-6-(3-methylphenyl)-2-propyl-1H-pyrimidine-4-thione

C15H18N2S — CID 106515365

IUPAC5-methyl-6-(3-methylphenyl)-2-propyl-1H-pyrimidine-4-thione
SMILESCCCc1nc(=S)c(C)c(-c2cccc(C)c2)[nH]1
InChIInChI=1S/C15H18N2S/c1-4-6-13-16-14(11(3)15(18)17-13)12-8-5-7-10(2)9-12/h5,7-9H,4,6H2,1-3H3,(H,16,17,18)
InChIKeyBSTLXLPJWAHPFT-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.38
Rot. Bonds3

About 5-methyl-6-(3-methylphenyl)-2-propyl-1H-pyrimidine-4-thione

5-methyl-6-(3-methylphenyl)-2-propyl-1H-pyrimidine-4-thione (PubChem CID 106515365) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 5-methyl-6-(3-methylphenyl)-2-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-methyl-6-(3-methylphenyl)-2-propyl-1H-pyrimidine-4-thione
PubChem CID106515365
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name5-methyl-6-(3-methylphenyl)-2-propyl-1H-pyrimidine-4-thione
SMILESCCCc1nc(=S)c(C)c(-c2cccc(C)c2)[nH]1
InChIInChI=1S/C15H18N2S/c1-4-6-13-16-14(11(3)15(18)17-13)12-8-5-7-10(2)9-12/h5,7-9H,4,6H2,1-3H3,(H,16,17,18)
InChIKeyBSTLXLPJWAHPFT-UHFFFAOYSA-N
XLogP4.38
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.38
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-(3-ethylphenyl)-5-methyl-2-propyl-1H-pyrimidine-4-thione
CID 106519407
6-(3,5-dichlorophenyl)-5-methyl-2-propyl-1H-pyrimidine-4-thione
CID 106522685
5-methyl-2-propyl-6-quinolin-7-yl-1H-pyrimidine-4-thione
CID 106519775
2-ethyl-5-methyl-6-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-4-thione
CID 106516662
2-tert-butyl-5-methyl-6-(3-methylphenyl)-1H-pyrimidine-4-thione
CID 106515339
6-(2,3-difluorophenyl)-5-methyl-2-propyl-1H-pyrimidine-4-thione
CID 106518243
6-(3-chloro-5-fluorophenyl)-5-methyl-2-propyl-1H-pyrimidine-4-thione
CID 106521142
6-(3-cyclobutylphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106522451
6-(1-benzothiophen-7-yl)-5-methyl-2-propyl-1H-pyrimidine-4-thione
CID 106519841
2-ethyl-5-methyl-6-naphthalen-2-yl-1H-pyrimidine-4-thione
CID 106514830
6-(2,5-dichlorophenyl)-5-methyl-2-propyl-1H-pyrimidine-4-thione
CID 106514926
6-(7-chloro-1-benzofuran-2-yl)-5-methyl-2-propyl-1H-pyrimidine-4-thione
CID 106521975

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(3-methylphenyl)-2-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 5-methyl-6-(3-methylphenyl)-2-propyl-1H-pyrimidine-4-thione (CID 106515365) is 5-methyl-6-(3-methylphenyl)-2-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-methyl-6-(3-methylphenyl)-2-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-methyl-6-(3-methylphenyl)-2-propyl-1H-pyrimidine-4-thione is CCCc1nc(=S)c(C)c(-c2cccc(C)c2)[nH]1.
What is the InChIKey of 5-methyl-6-(3-methylphenyl)-2-propyl-1H-pyrimidine-4-thione?
The InChIKey is BSTLXLPJWAHPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-4-6-13-16-14(11(3)15(18)17-13)12-8-5-7-10(2)9-12/h5,7-9H,4,6H2,1-3H3,(H,16,17,18).
What are the key properties of 5-methyl-6-(3-methylphenyl)-2-propyl-1H-pyrimidine-4-thione?
5-methyl-6-(3-methylphenyl)-2-propyl-1H-pyrimidine-4-thione has a molecular weight of 258.39 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(3-methylphenyl)-2-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106515365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).