4-methyl-6-phenyl-5,6-dihydro-1H-pyrimidine-2-thione

C11H12N2S — CID 45056811

IUPAC4-methyl-6-phenyl-5,6-dihydro-1H-pyrimidine-2-thione
SMILESCC1=NC(=S)NC(c2ccccc2)C1
InChIInChI=1S/C11H12N2S/c1-8-7-10(13-11(14)12-8)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,13,14)
InChIKeyUNEFPMZZLBSZAN-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.47
Rot. Bonds1

About 4-methyl-6-phenyl-5,6-dihydro-1H-pyrimidine-2-thione

4-methyl-6-phenyl-5,6-dihydro-1H-pyrimidine-2-thione (PubChem CID 45056811) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 4-methyl-6-phenyl-5,6-dihydro-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name4-methyl-6-phenyl-5,6-dihydro-1H-pyrimidine-2-thione
PubChem CID45056811
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name4-methyl-6-phenyl-5,6-dihydro-1H-pyrimidine-2-thione
SMILESCC1=NC(=S)NC(c2ccccc2)C1
InChIInChI=1S/C11H12N2S/c1-8-7-10(13-11(14)12-8)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,13,14)
InChIKeyUNEFPMZZLBSZAN-UHFFFAOYSA-N
XLogP2.47
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(7S,14S)-5,12-dimethyl-7,14-diphenyl-1,4,8,11-tetrazacyclotetradeca-4,11-diene
CID 101114161
4,6-diphenyl-1,6-dihydropyrimidine-2,5-dithione
CID 12830733
ethane;(2S)-2-phenylaziridine
CID 145185749
(6R)-2-methyl-6-phenyl-1,4,5,6-tetrahydropyrimidine
CID 134952379
2,6-dimethyl-4-phenyl-3,4-dihydropyridine
CID 57025415
4-anilino-5-(3-methylphenyl)-1,5-dihydroimidazole-2-thione
CID 140604940
(5Z)-4-methyl-6-phenyl-5-(5-phenyl-1,2-oxazolidin-3-ylidene)-1,6-dihydropyrimidine-2-thione
CID 177499622
4-anilino-5-(4-methylphenyl)-1,5-dihydroimidazole-2-thione
CID 140604946
ethane;4-phenyl-1,3-oxazolidine-2-thione
CID 54377215
(2R)-2-phenyl-2,3-dihydro-1H-indole
CID 7004228
6-phenyl-4-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-5,6-dihydro-1H-pyrimidine-2-thione
CID 11259335
2-phenyl-2,3-dihydro-1H-pyridine-6-thione
CID 121219565

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-phenyl-5,6-dihydro-1H-pyrimidine-2-thione?
The IUPAC name of 4-methyl-6-phenyl-5,6-dihydro-1H-pyrimidine-2-thione (CID 45056811) is 4-methyl-6-phenyl-5,6-dihydro-1H-pyrimidine-2-thione.
What is the SMILES notation for 4-methyl-6-phenyl-5,6-dihydro-1H-pyrimidine-2-thione?
The canonical SMILES for 4-methyl-6-phenyl-5,6-dihydro-1H-pyrimidine-2-thione is CC1=NC(=S)NC(c2ccccc2)C1.
What is the InChIKey of 4-methyl-6-phenyl-5,6-dihydro-1H-pyrimidine-2-thione?
The InChIKey is UNEFPMZZLBSZAN-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/h2-6,10H,7H2,1H3,(H,13,14).
What are the key properties of 4-methyl-6-phenyl-5,6-dihydro-1H-pyrimidine-2-thione?
4-methyl-6-phenyl-5,6-dihydro-1H-pyrimidine-2-thione has a molecular weight of 204.30 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-phenyl-5,6-dihydro-1H-pyrimidine-2-thione is sourced from PubChem (CID 45056811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).