6-(3-bromophenyl)sulfanyl-N-ethyl-2-methylpyrimidin-4-amine

C13H14BrN3S — CID 80889647

IUPAC6-(3-bromophenyl)sulfanyl-N-ethyl-2-methylpyrimidin-4-amine
SMILESCCNc1cc(Sc2cccc(Br)c2)nc(C)n1
InChIInChI=1S/C13H14BrN3S/c1-3-15-12-8-13(17-9(2)16-12)18-11-6-4-5-10(14)7-11/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyNTOPEDHQFNKQFX-UHFFFAOYSA-N
MW324.25 g/mol
LogP4.13
Rot. Bonds4

About 6-(3-bromophenyl)sulfanyl-N-ethyl-2-methylpyrimidin-4-amine

6-(3-bromophenyl)sulfanyl-N-ethyl-2-methylpyrimidin-4-amine (PubChem CID 80889647) has the molecular formula C13H14BrN3S and a molecular weight of 324.25 g/mol. Its IUPAC name is 6-(3-bromophenyl)sulfanyl-N-ethyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-bromophenyl)sulfanyl-N-ethyl-2-methylpyrimidin-4-amine
PubChem CID80889647
Molecular FormulaC13H14BrN3S
Molecular Weight324.25 g/mol
Exact Mass323.01
IUPAC Name6-(3-bromophenyl)sulfanyl-N-ethyl-2-methylpyrimidin-4-amine
SMILESCCNc1cc(Sc2cccc(Br)c2)nc(C)n1
InChIInChI=1S/C13H14BrN3S/c1-3-15-12-8-13(17-9(2)16-12)18-11-6-4-5-10(14)7-11/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyNTOPEDHQFNKQFX-UHFFFAOYSA-N
XLogP4.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3-bromophenyl)sulfanyl-N-ethyl-2-methylpyrimidin-4-amine 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

N-ethyl-2-methyl-6-phenylsulfanylpyrimidin-4-amine
CID 80888102
6-(3-bromophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80963648
6-(3-bromophenyl)-N-ethyl-2-methylpyrimidin-4-amine
CID 115504032
[6-(3-bromophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine
CID 80947692
N-ethyl-2-methyl-6-(4-methylsulfonylphenyl)sulfanylpyrimidin-4-amine
CID 80888556
6-(4-bromophenyl)sulfanyl-N-ethyl-2-propylpyrimidin-4-amine
CID 80949865
N,2-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine
CID 80885675
6-(3-chlorophenyl)sulfanyl-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80892361
N-ethyl-2-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80894982
4-(3-bromophenyl)sulfanyl-6-chloro-N-ethyl-1,3,5-triazin-2-amine
CID 80889048
[6-(3-bromophenyl)sulfanyl-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80929840
4-(3-bromophenyl)sulfanyl-6-chloro-2-ethylpyrimidine
CID 80936563

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)sulfanyl-N-ethyl-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(3-bromophenyl)sulfanyl-N-ethyl-2-methylpyrimidin-4-amine (CID 80889647) is 6-(3-bromophenyl)sulfanyl-N-ethyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-bromophenyl)sulfanyl-N-ethyl-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3-bromophenyl)sulfanyl-N-ethyl-2-methylpyrimidin-4-amine is CCNc1cc(Sc2cccc(Br)c2)nc(C)n1.
What is the InChIKey of 6-(3-bromophenyl)sulfanyl-N-ethyl-2-methylpyrimidin-4-amine?
The InChIKey is NTOPEDHQFNKQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3S/c1-3-15-12-8-13(17-9(2)16-12)18-11-6-4-5-10(14)7-11/h4-8H,3H2,1-2H3,(H,15,16,17).
What are the key properties of 6-(3-bromophenyl)sulfanyl-N-ethyl-2-methylpyrimidin-4-amine?
6-(3-bromophenyl)sulfanyl-N-ethyl-2-methylpyrimidin-4-amine has a molecular weight of 324.25 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)sulfanyl-N-ethyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 80889647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).