3-(3-bromophenyl)-5,6-dimethyl-N-propylpyrazin-2-amine

C15H18BrN3 — CID 115504055

IUPAC3-(3-bromophenyl)-5,6-dimethyl-N-propylpyrazin-2-amine
SMILESCCCNc1nc(C)c(C)nc1-c1cccc(Br)c1
InChIInChI=1S/C15H18BrN3/c1-4-8-17-15-14(18-10(2)11(3)19-15)12-6-5-7-13(16)9-12/h5-7,9H,4,8H2,1-3H3,(H,17,19)
InChIKeyYHZPTLYHCQKJEI-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.34
Rot. Bonds4

About 3-(3-bromophenyl)-5,6-dimethyl-N-propylpyrazin-2-amine

3-(3-bromophenyl)-5,6-dimethyl-N-propylpyrazin-2-amine (PubChem CID 115504055) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 3-(3-bromophenyl)-5,6-dimethyl-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-5,6-dimethyl-N-propylpyrazin-2-amine
PubChem CID115504055
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name3-(3-bromophenyl)-5,6-dimethyl-N-propylpyrazin-2-amine
SMILESCCCNc1nc(C)c(C)nc1-c1cccc(Br)c1
InChIInChI=1S/C15H18BrN3/c1-4-8-17-15-14(18-10(2)11(3)19-15)12-6-5-7-13(16)9-12/h5-7,9H,4,8H2,1-3H3,(H,17,19)
InChIKeyYHZPTLYHCQKJEI-UHFFFAOYSA-N
XLogP4.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine
CID 63486280
2-(3-bromophenyl)-N-propylpyrimidin-4-amine
CID 55135437
3-(3-bromophenyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65268642
6-(3-bromophenyl)-3,5-dichloro-N-ethylpyridin-2-amine
CID 102753784
6-(3-bromophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 115503957
2-(4-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine
CID 63486623
5-bromo-2-(3-chlorophenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66304892
6-(3-bromophenyl)-N-ethyl-5-propylpyrimidin-4-amine
CID 115504003
2-ethyl-5-methyl-6-(3-methylphenyl)-N-propylpyrimidin-4-amine
CID 80975147
4-N-(3-bromophenyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80760427
6-(3-bromophenyl)-N-ethyl-2-methylpyrimidin-4-amine
CID 115504032
3,5-dichloro-6-(3-fluorophenyl)-N-propylpyridin-2-amine
CID 102753089

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-5,6-dimethyl-N-propylpyrazin-2-amine?
The IUPAC name of 3-(3-bromophenyl)-5,6-dimethyl-N-propylpyrazin-2-amine (CID 115504055) is 3-(3-bromophenyl)-5,6-dimethyl-N-propylpyrazin-2-amine.
What is the SMILES notation for 3-(3-bromophenyl)-5,6-dimethyl-N-propylpyrazin-2-amine?
The canonical SMILES for 3-(3-bromophenyl)-5,6-dimethyl-N-propylpyrazin-2-amine is CCCNc1nc(C)c(C)nc1-c1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-5,6-dimethyl-N-propylpyrazin-2-amine?
The InChIKey is YHZPTLYHCQKJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-4-8-17-15-14(18-10(2)11(3)19-15)12-6-5-7-13(16)9-12/h5-7,9H,4,8H2,1-3H3,(H,17,19).
What are the key properties of 3-(3-bromophenyl)-5,6-dimethyl-N-propylpyrazin-2-amine?
3-(3-bromophenyl)-5,6-dimethyl-N-propylpyrazin-2-amine has a molecular weight of 320.23 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-5,6-dimethyl-N-propylpyrazin-2-amine is sourced from PubChem (CID 115504055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).