4-(3-bromophenyl)sulfanyl-6-chloro-5-methyl-2-propylpyrimidine

C14H14BrClN2S — CID 80978438

IUPAC4-(3-bromophenyl)sulfanyl-6-chloro-5-methyl-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(Sc2cccc(Br)c2)n1
InChIInChI=1S/C14H14BrClN2S/c1-3-5-12-17-13(16)9(2)14(18-12)19-11-7-4-6-10(15)8-11/h4,6-8H,3,5H2,1-2H3
InChIKeyDLGMVKRFPHGXCH-UHFFFAOYSA-N
MW357.70 g/mol
LogP5.30
Rot. Bonds4

About 4-(3-bromophenyl)sulfanyl-6-chloro-5-methyl-2-propylpyrimidine

4-(3-bromophenyl)sulfanyl-6-chloro-5-methyl-2-propylpyrimidine (PubChem CID 80978438) has the molecular formula C14H14BrClN2S and a molecular weight of 357.70 g/mol. Its IUPAC name is 4-(3-bromophenyl)sulfanyl-6-chloro-5-methyl-2-propylpyrimidine.

Molecular Properties

Compound Name4-(3-bromophenyl)sulfanyl-6-chloro-5-methyl-2-propylpyrimidine
PubChem CID80978438
Molecular FormulaC14H14BrClN2S
Molecular Weight357.70 g/mol
Exact Mass355.97
IUPAC Name4-(3-bromophenyl)sulfanyl-6-chloro-5-methyl-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(Sc2cccc(Br)c2)n1
InChIInChI=1S/C14H14BrClN2S/c1-3-5-12-17-13(16)9(2)14(18-12)19-11-7-4-6-10(15)8-11/h4,6-8H,3,5H2,1-2H3
InChIKeyDLGMVKRFPHGXCH-UHFFFAOYSA-N
XLogP5.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.70
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(3-bromophenyl)sulfanyl-6-chloro-5-methyl-2-propylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-bromophenyl)sulfanyl-2-ethyl-5-methylpyrimidin-4-amine
CID 80995348
4-(3-bromophenoxy)-6-chloro-5-methyl-2-propylpyrimidine
CID 80973920
6-(3-bromophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80994557
[6-(3-chlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-yl]hydrazine
CID 81001570
[6-(3-bromophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine
CID 80947692
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
CID 80978525
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine
CID 80970894
4-(4-bromophenyl)-6-chloro-5-methyl-2-propylpyrimidine
CID 80975301
4-(3-bromophenyl)sulfanyl-6-chloro-2-ethylpyrimidine
CID 80936563
4-(3-bromophenyl)sulfanyl-5-chloro-N-propylpyrimidin-2-amine
CID 80888876
6-(3,4-dimethylphenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine
CID 80991386
3-bromo-2-(3-bromophenyl)sulfanyl-5-methylpyridine
CID 105368462

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)sulfanyl-6-chloro-5-methyl-2-propylpyrimidine?
The IUPAC name of 4-(3-bromophenyl)sulfanyl-6-chloro-5-methyl-2-propylpyrimidine (CID 80978438) is 4-(3-bromophenyl)sulfanyl-6-chloro-5-methyl-2-propylpyrimidine.
What is the SMILES notation for 4-(3-bromophenyl)sulfanyl-6-chloro-5-methyl-2-propylpyrimidine?
The canonical SMILES for 4-(3-bromophenyl)sulfanyl-6-chloro-5-methyl-2-propylpyrimidine is CCCc1nc(Cl)c(C)c(Sc2cccc(Br)c2)n1.
What is the InChIKey of 4-(3-bromophenyl)sulfanyl-6-chloro-5-methyl-2-propylpyrimidine?
The InChIKey is DLGMVKRFPHGXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2S/c1-3-5-12-17-13(16)9(2)14(18-12)19-11-7-4-6-10(15)8-11/h4,6-8H,3,5H2,1-2H3.
What are the key properties of 4-(3-bromophenyl)sulfanyl-6-chloro-5-methyl-2-propylpyrimidine?
4-(3-bromophenyl)sulfanyl-6-chloro-5-methyl-2-propylpyrimidine has a molecular weight of 357.70 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)sulfanyl-6-chloro-5-methyl-2-propylpyrimidine is sourced from PubChem (CID 80978438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).