5-bromo-4-(4-chlorophenyl)sulfanylpyrimidin-2-amine

C10H7BrClN3S — CID 80887194

IUPAC5-bromo-4-(4-chlorophenyl)sulfanylpyrimidin-2-amine
SMILESNc1ncc(Br)c(Sc2ccc(Cl)cc2)n1
InChIInChI=1S/C10H7BrClN3S/c11-8-5-14-10(13)15-9(8)16-7-3-1-6(12)2-4-7/h1-5H,(H2,13,14,15)
InChIKeyKMNHMIADQKTXMP-UHFFFAOYSA-N
MW316.61 g/mol
LogP3.63
Rot. Bonds2

About 5-bromo-4-(4-chlorophenyl)sulfanylpyrimidin-2-amine

5-bromo-4-(4-chlorophenyl)sulfanylpyrimidin-2-amine (PubChem CID 80887194) has the molecular formula C10H7BrClN3S and a molecular weight of 316.61 g/mol. Its IUPAC name is 5-bromo-4-(4-chlorophenyl)sulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(4-chlorophenyl)sulfanylpyrimidin-2-amine
PubChem CID80887194
Molecular FormulaC10H7BrClN3S
Molecular Weight316.61 g/mol
Exact Mass314.92
IUPAC Name5-bromo-4-(4-chlorophenyl)sulfanylpyrimidin-2-amine
SMILESNc1ncc(Br)c(Sc2ccc(Cl)cc2)n1
InChIInChI=1S/C10H7BrClN3S/c11-8-5-14-10(13)15-9(8)16-7-3-1-6(12)2-4-7/h1-5H,(H2,13,14,15)
InChIKeyKMNHMIADQKTXMP-UHFFFAOYSA-N
XLogP3.63
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.61
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-(4-bromophenyl)sulfanylpyrimidin-2-amine
CID 80893259
5-bromo-4-(4-propan-2-ylphenyl)sulfanylpyrimidin-2-amine
CID 80884952
5-bromo-4-(2,5-dichlorophenyl)sulfanylpyrimidin-2-amine
CID 80884851
[5-bromo-4-(3,4-dichlorophenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80929377
5-chloro-4-naphthalen-2-ylsulfanylpyrimidin-2-amine
CID 80884713
4-(1H-benzimidazol-2-ylsulfanyl)-5-bromopyrimidin-2-amine
CID 80882654
5-bromo-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 80765163
4-(3-chlorophenyl)sulfanyl-5-methylpyrimidin-2-amine
CID 80892674
4-(4-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine
CID 80883561
2-bromo-5-(4-chlorophenyl)sulfanylaniline
CID 91876650
5-bromo-4-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80891409
4-[(5-bromo-2-pyridinyl)sulfanyl]-5-chloropyrimidin-2-amine
CID 80890706

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-chlorophenyl)sulfanylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(4-chlorophenyl)sulfanylpyrimidin-2-amine (CID 80887194) is 5-bromo-4-(4-chlorophenyl)sulfanylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(4-chlorophenyl)sulfanylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(4-chlorophenyl)sulfanylpyrimidin-2-amine is Nc1ncc(Br)c(Sc2ccc(Cl)cc2)n1.
What is the InChIKey of 5-bromo-4-(4-chlorophenyl)sulfanylpyrimidin-2-amine?
The InChIKey is KMNHMIADQKTXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN3S/c11-8-5-14-10(13)15-9(8)16-7-3-1-6(12)2-4-7/h1-5H,(H2,13,14,15).
What are the key properties of 5-bromo-4-(4-chlorophenyl)sulfanylpyrimidin-2-amine?
5-bromo-4-(4-chlorophenyl)sulfanylpyrimidin-2-amine has a molecular weight of 316.61 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-chlorophenyl)sulfanylpyrimidin-2-amine is sourced from PubChem (CID 80887194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).