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

C12H20N4 — CID 83265906

IUPAC5-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2,4-diamine
SMILESCc1cnc(NCC2CCN(C)C2)cc1N
InChIInChI=1S/C12H20N4/c1-9-6-14-12(5-11(9)13)15-7-10-3-4-16(2)8-10/h5-6,10H,3-4,7-8H2,1-2H3,(H3,13,14,15)
InChIKeyXOTZWSZBXPZLTL-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.34
Rot. Bonds3

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

5-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2,4-diamine (PubChem CID 83265906) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2,4-diamine
PubChem CID83265906
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name5-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2,4-diamine
SMILESCc1cnc(NCC2CCN(C)C2)cc1N
InChIInChI=1S/C12H20N4/c1-9-6-14-12(5-11(9)13)15-7-10-3-4-16(2)8-10/h5-6,10H,3-4,7-8H2,1-2H3,(H3,13,14,15)
InChIKeyXOTZWSZBXPZLTL-UHFFFAOYSA-N
XLogP1.34
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(1-ethylpiperidin-4-yl)methyl]-5-methylpyridine-2,4-diamine
CID 83265626
4-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine
CID 79176691
5-methyl-2-N-(1-methylpyrrolidin-3-yl)pyridine-2,4-diamine
CID 83266421
5-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,4-diamine
CID 83265643
5-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 60856626
5-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,4-diamine
CID 83265537
5-bromo-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
CID 114869240
6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4,6-triamine
CID 80791244
6-chloro-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 78931860
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpyridine-2,4-diamine
CID 83265353
6-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine
CID 80791828
5-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 80811968

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2,4-diamine?
The IUPAC name of 5-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2,4-diamine (CID 83265906) is 5-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2,4-diamine.
What is the SMILES notation for 5-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2,4-diamine?
The canonical SMILES for 5-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2,4-diamine is Cc1cnc(NCC2CCN(C)C2)cc1N.
What is the InChIKey of 5-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2,4-diamine?
The InChIKey is XOTZWSZBXPZLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-9-6-14-12(5-11(9)13)15-7-10-3-4-16(2)8-10/h5-6,10H,3-4,7-8H2,1-2H3,(H3,13,14,15).
What are the key properties of 5-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2,4-diamine?
5-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2,4-diamine has a molecular weight of 220.32 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2,4-diamine is sourced from PubChem (CID 83265906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).