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

C12H20N4 — CID 106028932

IUPAC2-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine
SMILESCNc1cc(NCC2CCCN2C)ccn1
InChIInChI=1S/C12H20N4/c1-13-12-8-10(5-6-14-12)15-9-11-4-3-7-16(11)2/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,13,14,15)
InChIKeyKWBUANNZEDCJND-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.63
Rot. Bonds4

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

2-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine (PubChem CID 106028932) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine
PubChem CID106028932
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name2-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine
SMILESCNc1cc(NCC2CCCN2C)ccn1
InChIInChI=1S/C12H20N4/c1-13-12-8-10(5-6-14-12)15-9-11-4-3-7-16(11)2/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,13,14,15)
InChIKeyKWBUANNZEDCJND-UHFFFAOYSA-N
XLogP1.63
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83962864
methyl 4-[(1-methylpiperidin-2-yl)methylamino]pyridine-2-carboxylate
CID 66285860
4-tert-butyl-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine;molecular hydrogen
CID 144655907
3-iodo-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62655252
2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 106028625
3-[[[2-(methylamino)-4-pyridinyl]amino]methyl]cyclopentan-1-ol
CID 106138027
3-N,3-N-dimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]benzene-1,3-diamine
CID 112721974
N-[(1-methylpyrrolidin-2-yl)methyl]-3-propoxyaniline
CID 83961015
1-methyl-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazol-4-amine
CID 155225172
4-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 142876099
3-chloro-4-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83960396
5-fluoro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 106026754

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine (CID 106028932) is 2-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine is CNc1cc(NCC2CCCN2C)ccn1.
What is the InChIKey of 2-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine?
The InChIKey is KWBUANNZEDCJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-13-12-8-10(5-6-14-12)15-9-11-4-3-7-16(11)2/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,13,14,15).
What are the key properties of 2-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine?
2-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine has a molecular weight of 220.32 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine is sourced from PubChem (CID 106028932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).