4-phenyl-6-(2-phenylethyl)-1H-pyrimidine-2-thione

C18H16N2S — CID 13211248

IUPAC4-phenyl-6-(2-phenylethyl)-1H-pyrimidine-2-thione
SMILESS=c1nc(-c2ccccc2)cc(CCc2ccccc2)[nH]1
InChIInChI=1S/C18H16N2S/c21-18-19-16(12-11-14-7-3-1-4-8-14)13-17(20-18)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,19,20,21)
InChIKeySJWHJJVEAYZAPQ-UHFFFAOYSA-N
MW292.41 g/mol
LogP4.59
Rot. Bonds4

About 4-phenyl-6-(2-phenylethyl)-1H-pyrimidine-2-thione

4-phenyl-6-(2-phenylethyl)-1H-pyrimidine-2-thione (PubChem CID 13211248) has the molecular formula C18H16N2S and a molecular weight of 292.41 g/mol. Its IUPAC name is 4-phenyl-6-(2-phenylethyl)-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name4-phenyl-6-(2-phenylethyl)-1H-pyrimidine-2-thione
PubChem CID13211248
Molecular FormulaC18H16N2S
Molecular Weight292.41 g/mol
Exact Mass292.10
IUPAC Name4-phenyl-6-(2-phenylethyl)-1H-pyrimidine-2-thione
SMILESS=c1nc(-c2ccccc2)cc(CCc2ccccc2)[nH]1
InChIInChI=1S/C18H16N2S/c21-18-19-16(12-11-14-7-3-1-4-8-14)13-17(20-18)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,19,20,21)
InChIKeySJWHJJVEAYZAPQ-UHFFFAOYSA-N
XLogP4.59
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 54.59
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

3-Phenyl-1,4-diazaspiro[4.5]dec-3-ene-2-thione
CID 12005139
2,2-diethyl-5-phenyl-2,3-dihydro-4H-imidazole-4-thione
CID 16188074
2(1H)-Pyrimidinethione, 4,6-diphenyl-
CID 3038178
4,7-dimethyl-5-phenyl-5,6-dihydro-3H-quinazoline-2-thione
CID 44613448
4-Methyl-6-phenylpyrimidine-2-thiol
CID 735996
2-Methyl-2,5-diphenyl-2H-imidazol-4(3H)-thion
CID 4432448
4-Amino-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2-thiol
CID 5465894
4-Phenyl-6-(trifluoromethyl)pyrimidine-2-thiol
CID 3681786
4-(Difluoromethyl)-6-phenyl-2-pyrimidinethiol
CID 15352263
5,6-Diphenyl-2-pyrimidinethiol
CID 3031516
4-(4-fluorophenyl)-6-(4-methylphenyl)-1H-pyrimidine-2-thione
CID 15466362
4,6-bis(4-fluorophenyl)-1H-pyrimidine-2-thione
CID 69500079

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-(2-phenylethyl)-1H-pyrimidine-2-thione?
The IUPAC name of 4-phenyl-6-(2-phenylethyl)-1H-pyrimidine-2-thione (CID 13211248) is 4-phenyl-6-(2-phenylethyl)-1H-pyrimidine-2-thione.
What is the SMILES notation for 4-phenyl-6-(2-phenylethyl)-1H-pyrimidine-2-thione?
The canonical SMILES for 4-phenyl-6-(2-phenylethyl)-1H-pyrimidine-2-thione is S=c1nc(-c2ccccc2)cc(CCc2ccccc2)[nH]1.
What is the InChIKey of 4-phenyl-6-(2-phenylethyl)-1H-pyrimidine-2-thione?
The InChIKey is SJWHJJVEAYZAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2S/c21-18-19-16(12-11-14-7-3-1-4-8-14)13-17(20-18)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,19,20,21).
What are the key properties of 4-phenyl-6-(2-phenylethyl)-1H-pyrimidine-2-thione?
4-phenyl-6-(2-phenylethyl)-1H-pyrimidine-2-thione has a molecular weight of 292.41 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-(2-phenylethyl)-1H-pyrimidine-2-thione is sourced from PubChem (CID 13211248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).