5-ethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine

C13H15N3S — CID 80886646

IUPAC5-ethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine
SMILESCCc1c(N)ncnc1Sc1ccccc1C
InChIInChI=1S/C13H15N3S/c1-3-10-12(14)15-8-16-13(10)17-11-7-5-4-6-9(11)2/h4-8H,3H2,1-2H3,(H2,14,15,16)
InChIKeyAQQYCUGJMJSQMB-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.08
Rot. Bonds3

About 5-ethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine

5-ethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine (PubChem CID 80886646) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 5-ethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine
PubChem CID80886646
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name5-ethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine
SMILESCCc1c(N)ncnc1Sc1ccccc1C
InChIInChI=1S/C13H15N3S/c1-3-10-12(14)15-8-16-13(10)17-11-7-5-4-6-9(11)2/h4-8H,3H2,1-2H3,(H2,14,15,16)
InChIKeyAQQYCUGJMJSQMB-UHFFFAOYSA-N
XLogP3.08
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-(2-methylphenyl)sulfanyl-5-propylpyrimidine
CID 63730614
6-(2,5-difluorophenyl)sulfanyl-5-ethylpyrimidin-4-amine
CID 80884884
5-ethyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-amine
CID 80883053
6-benzylsulfanyl-5-ethylpyrimidin-4-amine
CID 80884151
2-(6-amino-5-ethylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
CID 80885324
5-ethyl-6-ethylsulfanylpyrimidin-4-amine
CID 80887544
N-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine
CID 80885549
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-ethylpyrimidin-4-amine
CID 80889243
6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80884520
N,5-dimethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine
CID 80886105
4-chloro-5-ethyl-6-(2-fluorophenyl)sulfanylpyrimidine
CID 63732482
5-ethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-4-amine
CID 80892560

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine (CID 80886646) is 5-ethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine is CCc1c(N)ncnc1Sc1ccccc1C.
What is the InChIKey of 5-ethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine?
The InChIKey is AQQYCUGJMJSQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-3-10-12(14)15-8-16-13(10)17-11-7-5-4-6-9(11)2/h4-8H,3H2,1-2H3,(H2,14,15,16).
What are the key properties of 5-ethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine?
5-ethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine has a molecular weight of 245.35 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine is sourced from PubChem (CID 80886646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).