5-bromo-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine

C11H13BrN4 — CID 115773970

IUPAC5-bromo-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
SMILESCc1cc(NCc2cnn(C)c2)ncc1Br
InChIInChI=1S/C11H13BrN4/c1-8-3-11(14-6-10(8)12)13-4-9-5-15-16(2)7-9/h3,5-7H,4H2,1-2H3,(H,13,14)
InChIKeyMTWNIQXVKZYBSN-UHFFFAOYSA-N
MW281.16 g/mol
LogP2.50
Rot. Bonds3

About 5-bromo-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine

5-bromo-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine (PubChem CID 115773970) has the molecular formula C11H13BrN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
PubChem CID115773970
Molecular FormulaC11H13BrN4
Molecular Weight281.16 g/mol
Exact Mass280.03
IUPAC Name5-bromo-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
SMILESCc1cc(NCc2cnn(C)c2)ncc1Br
InChIInChI=1S/C11H13BrN4/c1-8-3-11(14-6-10(8)12)13-4-9-5-15-16(2)7-9/h3,5-7H,4H2,1-2H3,(H,13,14)
InChIKeyMTWNIQXVKZYBSN-UHFFFAOYSA-N
XLogP2.50
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80817082
2,6-dibromo-4-chloro-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 114208957
5-bromo-N-[(3,4-difluorophenyl)methyl]-4-methylpyridin-2-amine
CID 115773984
1,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 19626325
6-bromo-N-[(1-methylpyrazol-4-yl)methyl]pyrazin-2-amine
CID 155403307
N-[(1-methylpyrazol-4-yl)methyl]-6-methylsulfanylpyrimidin-4-amine
CID 106972704
6-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 66329179
5-bromo-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-2-amine
CID 115147130
5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyridin-2-amine
CID 115773877
N-(5-bromo-4-methyl-2-pyridinyl)-1-methylpyrazole-4-carboxamide
CID 79729400
2-[(1-methylpyrazol-4-yl)methylamino]pyridine-4-carbonitrile
CID 55150359
5-bromo-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-2-amine
CID 113340028

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine (CID 115773970) is 5-bromo-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine is Cc1cc(NCc2cnn(C)c2)ncc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine?
The InChIKey is MTWNIQXVKZYBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4/c1-8-3-11(14-6-10(8)12)13-4-9-5-15-16(2)7-9/h3,5-7H,4H2,1-2H3,(H,13,14).
What are the key properties of 5-bromo-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine?
5-bromo-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine has a molecular weight of 281.16 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 115773970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).