6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidine-2-thione

C11H12N2S — CID 2850154

IUPAC6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidine-2-thione
SMILESCC1=CC(c2ccccc2)NC(=S)N1
InChIInChI=1S/C11H12N2S/c1-8-7-10(13-11(14)12-8)9-5-3-2-4-6-9/h2-7,10H,1H3,(H2,12,13,14)
InChIKeyKHCZLACEZABOFR-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.11
Rot. Bonds1

About 6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidine-2-thione

6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidine-2-thione (PubChem CID 2850154) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidine-2-thione
PubChem CID2850154
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidine-2-thione
SMILESCC1=CC(c2ccccc2)NC(=S)N1
InChIInChI=1S/C11H12N2S/c1-8-7-10(13-11(14)12-8)9-5-3-2-4-6-9/h2-7,10H,1H3,(H2,12,13,14)
InChIKeyKHCZLACEZABOFR-UHFFFAOYSA-N
XLogP2.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4R)-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydro-1H-pyrimidine-2-thione
CID 7261039
(6-methyl-4-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)hydrazine
CID 45482665
(4R)-N,N,6-trimethyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 803989
methyl 6-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2728918
4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-3-carbonitrile
CID 90887280
(7R,11R)-7,11-diphenyl-9-sulfanylidene-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5-trione
CID 9003883
ethyl (4R,5R,6R)-4-hydroxy-4-methyl-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylate
CID 124767491
ethyl 6-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2737412
6-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione
CID 3464118
5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 805159
4-methyl-2-phenyl-2,3-dihydro-1H-imidazole
CID 70449974
(4S)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-6-carboxylate
CID 2426874

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidine-2-thione?
The IUPAC name of 6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidine-2-thione (CID 2850154) is 6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidine-2-thione.
What is the SMILES notation for 6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidine-2-thione?
The canonical SMILES for 6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidine-2-thione is CC1=CC(c2ccccc2)NC(=S)N1.
What is the InChIKey of 6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidine-2-thione?
The InChIKey is KHCZLACEZABOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-8-7-10(13-11(14)12-8)9-5-3-2-4-6-9/h2-7,10H,1H3,(H2,12,13,14).
What are the key properties of 6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidine-2-thione?
6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidine-2-thione has a molecular weight of 204.30 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidine-2-thione is sourced from PubChem (CID 2850154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).