4-(3-bromophenyl)sulfanyl-5-chloro-N-propylpyrimidin-2-amine

C13H13BrClN3S — CID 80888876

IUPAC4-(3-bromophenyl)sulfanyl-5-chloro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(Sc2cccc(Br)c2)n1
InChIInChI=1S/C13H13BrClN3S/c1-2-6-16-13-17-8-11(15)12(18-13)19-10-5-3-4-9(14)7-10/h3-5,7-8H,2,6H2,1H3,(H,16,17,18)
InChIKeyMBAHIRZUUNVILK-UHFFFAOYSA-N
MW358.69 g/mol
LogP4.87
Rot. Bonds5

About 4-(3-bromophenyl)sulfanyl-5-chloro-N-propylpyrimidin-2-amine

4-(3-bromophenyl)sulfanyl-5-chloro-N-propylpyrimidin-2-amine (PubChem CID 80888876) has the molecular formula C13H13BrClN3S and a molecular weight of 358.69 g/mol. Its IUPAC name is 4-(3-bromophenyl)sulfanyl-5-chloro-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)sulfanyl-5-chloro-N-propylpyrimidin-2-amine
PubChem CID80888876
Molecular FormulaC13H13BrClN3S
Molecular Weight358.69 g/mol
Exact Mass356.97
IUPAC Name4-(3-bromophenyl)sulfanyl-5-chloro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(Sc2cccc(Br)c2)n1
InChIInChI=1S/C13H13BrClN3S/c1-2-6-16-13-17-8-11(15)12(18-13)19-10-5-3-4-9(14)7-10/h3-5,7-8H,2,6H2,1H3,(H,16,17,18)
InChIKeyMBAHIRZUUNVILK-UHFFFAOYSA-N
XLogP4.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.69
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(2-fluorophenyl)sulfanyl-N-propylpyrimidin-2-amine
CID 80884181
4-(3-bromophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 80887365
5-bromo-4-(3-bromophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80888784
5-chloro-4-(2-methylfuran-3-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 114001357
4-(3-bromophenyl)sulfanyl-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80889128
5-chloro-N-propyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine
CID 80886409
4-N-(5-bromo-2-methylphenyl)-5-chloro-2-N-propylpyrimidine-2,4-diamine
CID 80788732
5-chloro-4-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-2-amine
CID 80883328
4-(3-bromophenyl)sulfanyl-6-chloro-N-ethyl-1,3,5-triazin-2-amine
CID 80889048
[5-chloro-4-(3-fluorophenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80927318
4-(3-bromophenyl)sulfanyl-6-chloro-5-methyl-2-propylpyrimidine
CID 80978438
[5-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80931464

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)sulfanyl-5-chloro-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(3-bromophenyl)sulfanyl-5-chloro-N-propylpyrimidin-2-amine (CID 80888876) is 4-(3-bromophenyl)sulfanyl-5-chloro-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-bromophenyl)sulfanyl-5-chloro-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(3-bromophenyl)sulfanyl-5-chloro-N-propylpyrimidin-2-amine is CCCNc1ncc(Cl)c(Sc2cccc(Br)c2)n1.
What is the InChIKey of 4-(3-bromophenyl)sulfanyl-5-chloro-N-propylpyrimidin-2-amine?
The InChIKey is MBAHIRZUUNVILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3S/c1-2-6-16-13-17-8-11(15)12(18-13)19-10-5-3-4-9(14)7-10/h3-5,7-8H,2,6H2,1H3,(H,16,17,18).
What are the key properties of 4-(3-bromophenyl)sulfanyl-5-chloro-N-propylpyrimidin-2-amine?
4-(3-bromophenyl)sulfanyl-5-chloro-N-propylpyrimidin-2-amine has a molecular weight of 358.69 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)sulfanyl-5-chloro-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80888876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).