6-(3-chlorophenyl)sulfanyl-N-ethyl-2-methylsulfanylpyrimidin-4-amine

C13H14ClN3S2 — CID 80892361

IUPAC6-(3-chlorophenyl)sulfanyl-N-ethyl-2-methylsulfanylpyrimidin-4-amine
SMILESCCNc1cc(Sc2cccc(Cl)c2)nc(SC)n1
InChIInChI=1S/C13H14ClN3S2/c1-3-15-11-8-12(17-13(16-11)18-2)19-10-6-4-5-9(14)7-10/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyKZXQBXCXECGZGS-UHFFFAOYSA-N
MW311.86 g/mol
LogP4.43
Rot. Bonds5

About 6-(3-chlorophenyl)sulfanyl-N-ethyl-2-methylsulfanylpyrimidin-4-amine

6-(3-chlorophenyl)sulfanyl-N-ethyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80892361) has the molecular formula C13H14ClN3S2 and a molecular weight of 311.86 g/mol. Its IUPAC name is 6-(3-chlorophenyl)sulfanyl-N-ethyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-chlorophenyl)sulfanyl-N-ethyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID80892361
Molecular FormulaC13H14ClN3S2
Molecular Weight311.86 g/mol
Exact Mass311.03
IUPAC Name6-(3-chlorophenyl)sulfanyl-N-ethyl-2-methylsulfanylpyrimidin-4-amine
SMILESCCNc1cc(Sc2cccc(Cl)c2)nc(SC)n1
InChIInChI=1S/C13H14ClN3S2/c1-3-15-11-8-12(17-13(16-11)18-2)19-10-6-4-5-9(14)7-10/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyKZXQBXCXECGZGS-UHFFFAOYSA-N
XLogP4.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-methylphenyl)sulfanyl-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 80885590
6-(2,5-difluorophenyl)sulfanyl-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80884881
N-ethyl-6-(1-methylpyrazol-4-yl)sulfanyl-2-methylsulfanylpyrimidin-4-amine
CID 80892324
[6-(3-chlorophenyl)sulfanyl-2-ethylpyrimidin-4-yl]hydrazine
CID 80939919
4-N-(5-chloro-2-methoxyphenyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80737949
4-N-[(2-chlorophenyl)methyl]-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80784846
6-(3-chlorophenyl)sulfanyl-4-N-methylpyrimidine-2,4-diamine
CID 80892292
[6-(3-bromophenyl)sulfanyl-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80929840
6-(3-bromophenyl)sulfanyl-N-ethyl-2-methylpyrimidin-4-amine
CID 80889647
6-(2,5-dichlorophenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80862821
N-ethyl-2-methyl-6-phenylsulfanylpyrimidin-4-amine
CID 80888102
N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanylpyrimidin-4-amine
CID 106928540

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)sulfanyl-N-ethyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-(3-chlorophenyl)sulfanyl-N-ethyl-2-methylsulfanylpyrimidin-4-amine (CID 80892361) is 6-(3-chlorophenyl)sulfanyl-N-ethyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-chlorophenyl)sulfanyl-N-ethyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-(3-chlorophenyl)sulfanyl-N-ethyl-2-methylsulfanylpyrimidin-4-amine is CCNc1cc(Sc2cccc(Cl)c2)nc(SC)n1.
What is the InChIKey of 6-(3-chlorophenyl)sulfanyl-N-ethyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is KZXQBXCXECGZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3S2/c1-3-15-11-8-12(17-13(16-11)18-2)19-10-6-4-5-9(14)7-10/h4-8H,3H2,1-2H3,(H,15,16,17).
What are the key properties of 6-(3-chlorophenyl)sulfanyl-N-ethyl-2-methylsulfanylpyrimidin-4-amine?
6-(3-chlorophenyl)sulfanyl-N-ethyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 311.86 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)sulfanyl-N-ethyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80892361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).