3-bromo-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine

C11H14BrN5 — CID 79532541

IUPAC3-bromo-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine
SMILESCN(Cc1cnn(C)c1)c1ncc(N)cc1Br
InChIInChI=1S/C11H14BrN5/c1-16(6-8-4-15-17(2)7-8)11-10(12)3-9(13)5-14-11/h3-5,7H,6,13H2,1-2H3
InChIKeyLZDBVWIUMFRRJU-UHFFFAOYSA-N
MW296.17 g/mol
LogP1.80
Rot. Bonds3

About 3-bromo-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine

3-bromo-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine (PubChem CID 79532541) has the molecular formula C11H14BrN5 and a molecular weight of 296.17 g/mol. Its IUPAC name is 3-bromo-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine
PubChem CID79532541
Molecular FormulaC11H14BrN5
Molecular Weight296.17 g/mol
Exact Mass295.04
IUPAC Name3-bromo-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine
SMILESCN(Cc1cnn(C)c1)c1ncc(N)cc1Br
InChIInChI=1S/C11H14BrN5/c1-16(6-8-4-15-17(2)7-8)11-10(12)3-9(13)5-14-11/h3-5,7H,6,13H2,1-2H3
InChIKeyLZDBVWIUMFRRJU-UHFFFAOYSA-N
XLogP1.80
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 80630281
3-bromo-2-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine
CID 79532611
5-(aminomethyl)-3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 55054503
5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 62288842
2-bromo-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]aniline
CID 115557082
N,3-dimethyl-5-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 80630432
3-(aminomethyl)-5-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 102813654
1-[(5-amino-3-bromo-2-pyridinyl)-methylamino]-2-methylpropan-2-ol
CID 79534481
5-bromo-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 103726633
2-bromo-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzenecarbothioamide
CID 107277474
2-ethoxy-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine
CID 63672184
2-amino-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-4-carboxamide
CID 114194907

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine (CID 79532541) is 3-bromo-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine is CN(Cc1cnn(C)c1)c1ncc(N)cc1Br.
What is the InChIKey of 3-bromo-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine?
The InChIKey is LZDBVWIUMFRRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5/c1-16(6-8-4-15-17(2)7-8)11-10(12)3-9(13)5-14-11/h3-5,7H,6,13H2,1-2H3.
What are the key properties of 3-bromo-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine?
3-bromo-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine has a molecular weight of 296.17 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine is sourced from PubChem (CID 79532541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).