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

C12H17N5 — CID 112668322

IUPAC2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpyridine-2,4-diamine
SMILESCc1cnc(NCc2cn(C)nc2C)cc1N
InChIInChI=1S/C12H17N5/c1-8-5-14-12(4-11(8)13)15-6-10-7-17(3)16-9(10)2/h4-5,7H,6H2,1-3H3,(H3,13,14,15)
InChIKeyRNVZYRDOAOHWAQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.63
Rot. Bonds3

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

2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpyridine-2,4-diamine (PubChem CID 112668322) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpyridine-2,4-diamine
PubChem CID112668322
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpyridine-2,4-diamine
SMILESCc1cnc(NCc2cn(C)nc2C)cc1N
InChIInChI=1S/C12H17N5/c1-8-5-14-12(4-11(8)13)15-6-10-7-17(3)16-9(10)2/h4-5,7H,6H2,1-3H3,(H3,13,14,15)
InChIKeyRNVZYRDOAOHWAQ-UHFFFAOYSA-N
XLogP1.63
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112672257
N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 112672305
3-bromo-2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyridine-2,5-diamine
CID 104507128
4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 112672280
6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine
CID 112671792
5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpyridin-2-amine
CID 112670727
5-amino-6-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylic acid
CID 112671919
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride
CID 126963985
ethyl 6-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate
CID 115990559
5-amino-2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxamide
CID 112668337
[4-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231544
5-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylpyridin-2-amine
CID 115886989

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpyridine-2,4-diamine?
The IUPAC name of 2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpyridine-2,4-diamine (CID 112668322) is 2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpyridine-2,4-diamine.
What is the SMILES notation for 2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpyridine-2,4-diamine?
The canonical SMILES for 2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpyridine-2,4-diamine is Cc1cnc(NCc2cn(C)nc2C)cc1N.
What is the InChIKey of 2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpyridine-2,4-diamine?
The InChIKey is RNVZYRDOAOHWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-8-5-14-12(4-11(8)13)15-6-10-7-17(3)16-9(10)2/h4-5,7H,6H2,1-3H3,(H3,13,14,15).
What are the key properties of 2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpyridine-2,4-diamine?
2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpyridine-2,4-diamine has a molecular weight of 231.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpyridine-2,4-diamine is sourced from PubChem (CID 112668322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).