4-(4-bromophenyl)-6-methyl-3,4-dihydro-1H-pyrimidine-2-thione

C11H11BrN2S — CID 122188610

IUPAC4-(4-bromophenyl)-6-methyl-3,4-dihydro-1H-pyrimidine-2-thione
SMILESCC1=CC(c2ccc(Br)cc2)NC(=S)N1
InChIInChI=1S/C11H11BrN2S/c1-7-6-10(14-11(15)13-7)8-2-4-9(12)5-3-8/h2-6,10H,1H3,(H2,13,14,15)
InChIKeyNFMUSUKZPDBIMA-UHFFFAOYSA-N
MW283.19 g/mol
LogP2.87
Rot. Bonds1

About 4-(4-bromophenyl)-6-methyl-3,4-dihydro-1H-pyrimidine-2-thione

4-(4-bromophenyl)-6-methyl-3,4-dihydro-1H-pyrimidine-2-thione (PubChem CID 122188610) has the molecular formula C11H11BrN2S and a molecular weight of 283.19 g/mol. Its IUPAC name is 4-(4-bromophenyl)-6-methyl-3,4-dihydro-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name4-(4-bromophenyl)-6-methyl-3,4-dihydro-1H-pyrimidine-2-thione
PubChem CID122188610
Molecular FormulaC11H11BrN2S
Molecular Weight283.19 g/mol
Exact Mass281.98
IUPAC Name4-(4-bromophenyl)-6-methyl-3,4-dihydro-1H-pyrimidine-2-thione
SMILESCC1=CC(c2ccc(Br)cc2)NC(=S)N1
InChIInChI=1S/C11H11BrN2S/c1-7-6-10(14-11(15)13-7)8-2-4-9(12)5-3-8/h2-6,10H,1H3,(H2,13,14,15)
InChIKeyNFMUSUKZPDBIMA-UHFFFAOYSA-N
XLogP2.87
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 52.87
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

5-(4-bromophenyl)-1-(2-methylpropyl)-1H-imidazole-2-thiol
CID 4961656
6-Methyl-4-phenyl-3,4-dihydro-1H-pyrimidine-2-thione
CID 2850154
4-(4-bromophenyl)-4,6,7,8-tetrahydro-1H-5,8-ethanopyrido[3,2-d]pyrimidine-2(3H)-thione
CID 3578009
4-(4-bromophenyl)-1-(2-phenylethyl)-1,3-dihydro-2H-imidazole-2-thione
CID 4277738
(1-(4-Bromophenyl)ethyl)(methyl)amine
CID 16784496
Pyrimidine-2(1H)-thione, 3,4-dihydro-5-acetyl-4-(4-bromophenyl)-6-methyl-
CID 3962635
5,6-Dimethyl-4-phenyl-3,4-dihydro-1H-pyrimidine-2-thione
CID 3106651
1-[(4-Bromophenyl)methyl]-1,3-dihydro-2H-imidazole-2-thione
CID 44307075
(8E)-4-(4-bromophenyl)-8-[(4-bromophenyl)methylidene]-1,3,4,5,6,7-hexahydropyrido[4,3-d]pyrimidine-2-thione
CID 71658755
N-(4-bromobenzyl)-N'-phenylthiourea
CID 19057847
4-(4-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidine-2-thione
CID 122188611
4-(4-Bromo-phenyl)-1H-imidazole-2-thiol
CID 1133290

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-6-methyl-3,4-dihydro-1H-pyrimidine-2-thione?
The IUPAC name of 4-(4-bromophenyl)-6-methyl-3,4-dihydro-1H-pyrimidine-2-thione (CID 122188610) is 4-(4-bromophenyl)-6-methyl-3,4-dihydro-1H-pyrimidine-2-thione.
What is the SMILES notation for 4-(4-bromophenyl)-6-methyl-3,4-dihydro-1H-pyrimidine-2-thione?
The canonical SMILES for 4-(4-bromophenyl)-6-methyl-3,4-dihydro-1H-pyrimidine-2-thione is CC1=CC(c2ccc(Br)cc2)NC(=S)N1.
What is the InChIKey of 4-(4-bromophenyl)-6-methyl-3,4-dihydro-1H-pyrimidine-2-thione?
The InChIKey is NFMUSUKZPDBIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2S/c1-7-6-10(14-11(15)13-7)8-2-4-9(12)5-3-8/h2-6,10H,1H3,(H2,13,14,15).
What are the key properties of 4-(4-bromophenyl)-6-methyl-3,4-dihydro-1H-pyrimidine-2-thione?
4-(4-bromophenyl)-6-methyl-3,4-dihydro-1H-pyrimidine-2-thione has a molecular weight of 283.19 g/mol, XLogP of 2.87, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-6-methyl-3,4-dihydro-1H-pyrimidine-2-thione is sourced from PubChem (CID 122188610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).