2-chloro-4-(3,4-dichlorophenyl)sulfanylpyrimidin-5-amine

C10H6Cl3N3S — CID 114044360

IUPAC2-chloro-4-(3,4-dichlorophenyl)sulfanylpyrimidin-5-amine
SMILESNc1cnc(Cl)nc1Sc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H6Cl3N3S/c11-6-2-1-5(3-7(6)12)17-9-8(14)4-15-10(13)16-9/h1-4H,14H2
InChIKeyQGFDZAXMTUVIED-UHFFFAOYSA-N
MW306.61 g/mol
LogP4.17
Rot. Bonds2

About 2-chloro-4-(3,4-dichlorophenyl)sulfanylpyrimidin-5-amine

2-chloro-4-(3,4-dichlorophenyl)sulfanylpyrimidin-5-amine (PubChem CID 114044360) has the molecular formula C10H6Cl3N3S and a molecular weight of 306.61 g/mol. Its IUPAC name is 2-chloro-4-(3,4-dichlorophenyl)sulfanylpyrimidin-5-amine.

Molecular Properties

Compound Name2-chloro-4-(3,4-dichlorophenyl)sulfanylpyrimidin-5-amine
PubChem CID114044360
Molecular FormulaC10H6Cl3N3S
Molecular Weight306.61 g/mol
Exact Mass304.93
IUPAC Name2-chloro-4-(3,4-dichlorophenyl)sulfanylpyrimidin-5-amine
SMILESNc1cnc(Cl)nc1Sc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H6Cl3N3S/c11-6-2-1-5(3-7(6)12)17-9-8(14)4-15-10(13)16-9/h1-4H,14H2
InChIKeyQGFDZAXMTUVIED-UHFFFAOYSA-N
XLogP4.17
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.61
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-5-amine
CID 114044329
[5-bromo-4-(3,4-dichlorophenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80929377
[4-(3,4-dichlorophenyl)sulfanyl-5-methylpyrimidin-2-yl]hydrazine
CID 80929193
5-chloro-2-(3,4-dichlorophenyl)sulfanyl-3-fluoropyridine
CID 79734159
5-bromo-4-(3,4-dichlorophenyl)sulfanylpyridin-3-amine
CID 103519211
2-chloro-4-[(4-chlorophenyl)methylsulfanyl]pyrimidin-5-amine
CID 114044368
5-bromo-4-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80891409
5-chloro-4-naphthalen-2-ylsulfanylpyrimidin-2-amine
CID 80884713
3,5-dichloro-6-(3,4-dichlorophenyl)sulfanyl-N-methylpyridin-2-amine
CID 102761528
5-(2-chloro-5-methylpyrimidin-4-yl)sulfanylpyrimidin-2-amine
CID 89255962
2-(3,4-dichlorophenyl)sulfanyl-5-nitropyrimidin-4-amine
CID 133324022
2-chloro-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluoropyrimidine
CID 79075917

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,4-dichlorophenyl)sulfanylpyrimidin-5-amine?
The IUPAC name of 2-chloro-4-(3,4-dichlorophenyl)sulfanylpyrimidin-5-amine (CID 114044360) is 2-chloro-4-(3,4-dichlorophenyl)sulfanylpyrimidin-5-amine.
What is the SMILES notation for 2-chloro-4-(3,4-dichlorophenyl)sulfanylpyrimidin-5-amine?
The canonical SMILES for 2-chloro-4-(3,4-dichlorophenyl)sulfanylpyrimidin-5-amine is Nc1cnc(Cl)nc1Sc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(3,4-dichlorophenyl)sulfanylpyrimidin-5-amine?
The InChIKey is QGFDZAXMTUVIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl3N3S/c11-6-2-1-5(3-7(6)12)17-9-8(14)4-15-10(13)16-9/h1-4H,14H2.
What are the key properties of 2-chloro-4-(3,4-dichlorophenyl)sulfanylpyrimidin-5-amine?
2-chloro-4-(3,4-dichlorophenyl)sulfanylpyrimidin-5-amine has a molecular weight of 306.61 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,4-dichlorophenyl)sulfanylpyrimidin-5-amine is sourced from PubChem (CID 114044360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).