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

C12H16BrN5 — CID 104507128

IUPAC3-bromo-2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyridine-2,5-diamine
SMILESCc1nn(C)cc1CNc1ncc(N)c(C)c1Br
InChIInChI=1S/C12H16BrN5/c1-7-10(14)5-16-12(11(7)13)15-4-9-6-18(3)17-8(9)2/h5-6H,4,14H2,1-3H3,(H,15,16)
InChIKeySZLIYWZBTCQQAG-UHFFFAOYSA-N
MW310.20 g/mol
LogP2.39
Rot. Bonds3

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

3-bromo-2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyridine-2,5-diamine (PubChem CID 104507128) has the molecular formula C12H16BrN5 and a molecular weight of 310.20 g/mol. Its IUPAC name is 3-bromo-2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyridine-2,5-diamine
PubChem CID104507128
Molecular FormulaC12H16BrN5
Molecular Weight310.20 g/mol
Exact Mass309.06
IUPAC Name3-bromo-2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyridine-2,5-diamine
SMILESCc1nn(C)cc1CNc1ncc(N)c(C)c1Br
InChIInChI=1S/C12H16BrN5/c1-7-10(14)5-16-12(11(7)13)15-4-9-6-18(3)17-8(9)2/h5-6H,4,14H2,1-3H3,(H,15,16)
InChIKeySZLIYWZBTCQQAG-UHFFFAOYSA-N
XLogP2.39
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpyridin-2-amine
CID 112670727
3,5-dibromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine
CID 113413721
3-bromo-2-N-[(2-bromophenyl)methyl]-4-methylpyridine-2,5-diamine
CID 104506507
5-amino-6-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylic acid
CID 112671919
3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine
CID 104506234
3-bromo-2-N-[(4-bromophenyl)methyl]-4-methylpyridine-2,5-diamine
CID 113420383
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine
CID 112676039
2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpyridine-2,4-diamine
CID 112668322
5-amino-2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxamide
CID 112668337
5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 112671804
3-bromo-4-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2,5-diamine
CID 106393535
4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-ethoxypyrimidine-4,5-diamine
CID 112668285

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyridine-2,5-diamine (CID 104507128) is 3-bromo-2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyridine-2,5-diamine is Cc1nn(C)cc1CNc1ncc(N)c(C)c1Br.
What is the InChIKey of 3-bromo-2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyridine-2,5-diamine?
The InChIKey is SZLIYWZBTCQQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5/c1-7-10(14)5-16-12(11(7)13)15-4-9-6-18(3)17-8(9)2/h5-6H,4,14H2,1-3H3,(H,15,16).
What are the key properties of 3-bromo-2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyridine-2,5-diamine?
3-bromo-2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyridine-2,5-diamine has a molecular weight of 310.20 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyridine-2,5-diamine is sourced from PubChem (CID 104507128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).