6-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione

C19H20N2O3S — CID 3464118

IUPAC6-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione
SMILESCOc1cc(OC)c(C2C=C(c3ccccc3)NC(=S)N2)cc1OC
InChIInChI=1S/C19H20N2O3S/c1-22-16-11-18(24-3)17(23-2)9-13(16)15-10-14(20-19(25)21-15)12-7-5-4-6-8-12/h4-11,15H,1-3H3,(H2,20,21,25)
InChIKeyLYIGRMBMZXGQHO-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.27
Rot. Bonds5

About 6-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione

6-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione (PubChem CID 3464118) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 6-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name6-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione
PubChem CID3464118
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name6-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione
SMILESCOc1cc(OC)c(C2C=C(c3ccccc3)NC(=S)N2)cc1OC
InChIInChI=1S/C19H20N2O3S/c1-22-16-11-18(24-3)17(23-2)9-13(16)15-10-14(20-19(25)21-15)12-7-5-4-6-8-12/h4-11,15H,1-3H3,(H2,20,21,25)
InChIKeyLYIGRMBMZXGQHO-UHFFFAOYSA-N
XLogP3.27
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3,4-dimethoxyphenyl)-4-phenyl-3,6-dihydro-1,3-thiazine-2-thione
CID 2725888
(4S)-6-(4-chlorophenyl)-4-(3-methyl-1-phenylpyrazol-4-yl)-3,4-dihydro-1H-pyrimidine-2-thione
CID 1234211
6-(1-benzyl-5-methyltriazol-4-yl)-4-(2,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione
CID 71458364
ethyl (4S)-4-(2-chloro-4,5-dimethoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 26366188
1,2,4-trimethoxy-5-phenylbenzene
CID 18788699
(4R)-6-(1-adamantyl)-4-(2,5-dimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione
CID 7464395
(1S,8R)-4,5-dimethoxy-10-phenyltetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene
CID 71571107
methyl 2-[4-[(4S)-5-benzoyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-5-chloro-2-methoxyphenoxy]acetate
CID 51558480
6,7-dimethoxy-1,4-diphenylnaphthalene
CID 134090814
methyl 4-methylidene-2-sulfanylidene-6-(2,4,5-trimethoxyphenyl)-1,3-diazinane-5-carboxylate
CID 5051850
ethyl (4R)-4-(3-methoxy-4-propoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2291354

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione?
The IUPAC name of 6-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione (CID 3464118) is 6-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione.
What is the SMILES notation for 6-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione?
The canonical SMILES for 6-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione is COc1cc(OC)c(C2C=C(c3ccccc3)NC(=S)N2)cc1OC.
What is the InChIKey of 6-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione?
The InChIKey is LYIGRMBMZXGQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-22-16-11-18(24-3)17(23-2)9-13(16)15-10-14(20-19(25)21-15)12-7-5-4-6-8-12/h4-11,15H,1-3H3,(H2,20,21,25).
What are the key properties of 6-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione?
6-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione has a molecular weight of 356.45 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione is sourced from PubChem (CID 3464118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).