1-(4-methylphenyl)pyrimidine-2-thione

C11H10N2S — CID 86108408

IUPAC1-(4-methylphenyl)pyrimidine-2-thione
SMILESCc1ccc(-n2cccnc2=S)cc1
InChIInChI=1S/C11H10N2S/c1-9-3-5-10(6-4-9)13-8-2-7-12-11(13)14/h2-8H,1H3
InChIKeyFLUAOPYXNLDHSL-UHFFFAOYSA-N
MW202.28 g/mol
LogP2.91
Rot. Bonds1

About 1-(4-methylphenyl)pyrimidine-2-thione

1-(4-methylphenyl)pyrimidine-2-thione (PubChem CID 86108408) has the molecular formula C11H10N2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 1-(4-methylphenyl)pyrimidine-2-thione.

Molecular Properties

Compound Name1-(4-methylphenyl)pyrimidine-2-thione
PubChem CID86108408
Molecular FormulaC11H10N2S
Molecular Weight202.28 g/mol
Exact Mass202.06
IUPAC Name1-(4-methylphenyl)pyrimidine-2-thione
SMILESCc1ccc(-n2cccnc2=S)cc1
InChIInChI=1S/C11H10N2S/c1-9-3-5-10(6-4-9)13-8-2-7-12-11(13)14/h2-8H,1H3
InChIKeyFLUAOPYXNLDHSL-UHFFFAOYSA-N
XLogP2.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)-4-phenylmethoxypyrimidine-2-thione
CID 11580391
1-(4-methylphenyl)pyridin-2-one
CID 10821386
1-(4-methylphenyl)-5-(1-phenylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133157895
1-(4-methylphenyl)-2-propan-2-ylpyrrole
CID 67473616
1-(4-methylphenyl)pyrrole-2-carbonitrile
CID 2797715
3-(4-methylphenyl)-1H-imidazole-2-thione;zinc
CID 174450728
(4S,5S)-1-cyclopentyl-5-[1-(4-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100525958
(4S,5R)-1-cyclopentyl-5-[1-(4-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100525965
1-(4-chlorophenyl)-5-[1-(4-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133182587
2-(2-methoxyphenyl)-1-(4-methylphenyl)imidazole
CID 141122425
1-(4-aminophenyl)pyrimidin-2-one
CID 59260073
2-[1-(4-methylphenyl)imidazol-2-yl]acetaldehyde
CID 174422837

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)pyrimidine-2-thione?
The IUPAC name of 1-(4-methylphenyl)pyrimidine-2-thione (CID 86108408) is 1-(4-methylphenyl)pyrimidine-2-thione.
What is the SMILES notation for 1-(4-methylphenyl)pyrimidine-2-thione?
The canonical SMILES for 1-(4-methylphenyl)pyrimidine-2-thione is Cc1ccc(-n2cccnc2=S)cc1.
What is the InChIKey of 1-(4-methylphenyl)pyrimidine-2-thione?
The InChIKey is FLUAOPYXNLDHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S/c1-9-3-5-10(6-4-9)13-8-2-7-12-11(13)14/h2-8H,1H3.
What are the key properties of 1-(4-methylphenyl)pyrimidine-2-thione?
1-(4-methylphenyl)pyrimidine-2-thione has a molecular weight of 202.28 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)pyrimidine-2-thione is sourced from PubChem (CID 86108408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).