6-(3-bromophenyl)sulfanyl-2-ethyl-5-methylpyrimidin-4-amine

C13H14BrN3S — CID 80995348

IUPAC6-(3-bromophenyl)sulfanyl-2-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(Sc2cccc(Br)c2)n1
InChIInChI=1S/C13H14BrN3S/c1-3-11-16-12(15)8(2)13(17-11)18-10-6-4-5-9(14)7-10/h4-7H,3H2,1-2H3,(H2,15,16,17)
InChIKeyPLNMLTXCWZFKSQ-UHFFFAOYSA-N
MW324.25 g/mol
LogP3.84
Rot. Bonds3

About 6-(3-bromophenyl)sulfanyl-2-ethyl-5-methylpyrimidin-4-amine

6-(3-bromophenyl)sulfanyl-2-ethyl-5-methylpyrimidin-4-amine (PubChem CID 80995348) has the molecular formula C13H14BrN3S and a molecular weight of 324.25 g/mol. Its IUPAC name is 6-(3-bromophenyl)sulfanyl-2-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-bromophenyl)sulfanyl-2-ethyl-5-methylpyrimidin-4-amine
PubChem CID80995348
Molecular FormulaC13H14BrN3S
Molecular Weight324.25 g/mol
Exact Mass323.01
IUPAC Name6-(3-bromophenyl)sulfanyl-2-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(Sc2cccc(Br)c2)n1
InChIInChI=1S/C13H14BrN3S/c1-3-11-16-12(15)8(2)13(17-11)18-10-6-4-5-9(14)7-10/h4-7H,3H2,1-2H3,(H2,15,16,17)
InChIKeyPLNMLTXCWZFKSQ-UHFFFAOYSA-N
XLogP3.84
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80994557
4-(3-bromophenyl)sulfanyl-6-chloro-5-methyl-2-propylpyrimidine
CID 80978438
4-(3-bromophenyl)sulfanyl-6-chloro-2-ethylpyrimidine
CID 80936563
6-(3,4-dimethylphenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine
CID 80991386
2,5-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine
CID 80885765
2-ethyl-5-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine
CID 80995752
3-bromo-2-(3-bromophenyl)sulfanyl-5-methylpyridine
CID 105368462
[6-(3-bromophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 81001755
6-tert-butylsulfanyl-2-ethyl-5-methylpyrimidin-4-amine
CID 80989878
5-(3-bromophenyl)-4,6-dichloro-2-ethylpyrimidine
CID 79440116
6-(5-bromo-2-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80976858
6-[(3,5-dimethylphenyl)methylsulfanyl]-2-ethyl-5-methylpyrimidin-4-amine
CID 80995681

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)sulfanyl-2-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(3-bromophenyl)sulfanyl-2-ethyl-5-methylpyrimidin-4-amine (CID 80995348) is 6-(3-bromophenyl)sulfanyl-2-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-bromophenyl)sulfanyl-2-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3-bromophenyl)sulfanyl-2-ethyl-5-methylpyrimidin-4-amine is CCc1nc(N)c(C)c(Sc2cccc(Br)c2)n1.
What is the InChIKey of 6-(3-bromophenyl)sulfanyl-2-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is PLNMLTXCWZFKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3S/c1-3-11-16-12(15)8(2)13(17-11)18-10-6-4-5-9(14)7-10/h4-7H,3H2,1-2H3,(H2,15,16,17).
What are the key properties of 6-(3-bromophenyl)sulfanyl-2-ethyl-5-methylpyrimidin-4-amine?
6-(3-bromophenyl)sulfanyl-2-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 324.25 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)sulfanyl-2-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80995348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).