3-bromo-4-methyl-2-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,5-diamine

C14H23BrN4 — CID 104506810

IUPAC3-bromo-4-methyl-2-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,5-diamine
SMILESCc1c(N)cnc(NCC(C)CN2CCCC2)c1Br
InChIInChI=1S/C14H23BrN4/c1-10(9-19-5-3-4-6-19)7-17-14-13(15)11(2)12(16)8-18-14/h8,10H,3-7,9,16H2,1-2H3,(H,17,18)
InChIKeyIMJIUXYPCVUHBI-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.88
Rot. Bonds5

About 3-bromo-4-methyl-2-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,5-diamine

3-bromo-4-methyl-2-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,5-diamine (PubChem CID 104506810) has the molecular formula C14H23BrN4 and a molecular weight of 327.27 g/mol. Its IUPAC name is 3-bromo-4-methyl-2-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-4-methyl-2-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,5-diamine
PubChem CID104506810
Molecular FormulaC14H23BrN4
Molecular Weight327.27 g/mol
Exact Mass326.11
IUPAC Name3-bromo-4-methyl-2-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,5-diamine
SMILESCc1c(N)cnc(NCC(C)CN2CCCC2)c1Br
InChIInChI=1S/C14H23BrN4/c1-10(9-19-5-3-4-6-19)7-17-14-13(15)11(2)12(16)8-18-14/h8,10H,3-7,9,16H2,1-2H3,(H,17,18)
InChIKeyIMJIUXYPCVUHBI-UHFFFAOYSA-N
XLogP2.88
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-methylpyridin-2-amine
CID 75379535
5-Bromo-N3-methyl-2,3-pyridinediamine
CID 10035731
5-Bromo-4-methylpyridine-2,3-diamine
CID 10125141
1-(8-bromo-1,2-dihydroimidazo[1,2-a]pyrido[2,3-e]pyrazin-4-yl)-N-methylazetidin-3-amine
CID 71548505
6-Bromo-7-methylimidazo[4,5-b]pyridin-2(3H)-one
CID 118294130
5-bromo-N-methyl-N-(pyrrolidin-3-yl)pyridin-2-amine trihydrochloride
CID 155822245
4-Methyl-5-amino-7-azaindoline
CID 12213578
1-(5-Bromo-3-methyl-pyridin-2-yl)-3-(R)-methyl-piperazine
CID 57473472
5-bromo-3-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine
CID 97224180
5-bromo-4-methyl-N-[(3-methyltriazol-4-yl)methyl]pyridin-2-amine
CID 115925167
3-bromo-N-[(3-ethyltriazol-4-yl)methyl]-5-methylpyridin-2-amine
CID 132362651
5-Bromo-n-(2-(pyrrolidin-1-yl)ethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 59199268

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-2-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-4-methyl-2-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,5-diamine (CID 104506810) is 3-bromo-4-methyl-2-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-4-methyl-2-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-4-methyl-2-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,5-diamine is Cc1c(N)cnc(NCC(C)CN2CCCC2)c1Br.
What is the InChIKey of 3-bromo-4-methyl-2-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,5-diamine?
The InChIKey is IMJIUXYPCVUHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN4/c1-10(9-19-5-3-4-6-19)7-17-14-13(15)11(2)12(16)8-18-14/h8,10H,3-7,9,16H2,1-2H3,(H,17,18).
What are the key properties of 3-bromo-4-methyl-2-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,5-diamine?
3-bromo-4-methyl-2-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,5-diamine has a molecular weight of 327.27 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-2-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,5-diamine is sourced from PubChem (CID 104506810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).