4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-2-amine

C14H23N5 — CID 53233904

IUPAC4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-2-amine
SMILESCN1CCN(c2cc(N)nc(N3CCCC3)c2)CC1
InChIInChI=1S/C14H23N5/c1-17-6-8-18(9-7-17)12-10-13(15)16-14(11-12)19-4-2-3-5-19/h10-11H,2-9H2,1H3,(H2,15,16)
InChIKeyRNWGMHYKGNBPDW-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.02
Rot. Bonds2

About 4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-2-amine

4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-2-amine (PubChem CID 53233904) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-2-amine
PubChem CID53233904
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-2-amine
SMILESCN1CCN(c2cc(N)nc(N3CCCC3)c2)CC1
InChIInChI=1S/C14H23N5/c1-17-6-8-18(9-7-17)12-10-13(15)16-14(11-12)19-4-2-3-5-19/h10-11H,2-9H2,1H3,(H2,15,16)
InChIKeyRNWGMHYKGNBPDW-UHFFFAOYSA-N
XLogP1.02
TPSA48.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-ethyl-6-N,1,2-trimethyl-4-N-phenylpyrimidin-1-ium-4,6-diamine;chloride
CID 9796088
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-methylpropyl)pyridin-2-amine
CID 44547268
N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 58227340
(R)-N2-cyclopentyl-4-(3-(methylamino)pyrrolidin-1-yl)pyridine-2,6-diamine
CID 54580885
4-(4-methylpiperazin-1-yl)-N2-neopentylpyridine-2,6-diamine
CID 54586763
(R)-N2-isobutyl-4-(3-(methylamino)pyrrolidin-1-yl)pyridine-2,6-diamine
CID 54587787
(R)-4-(3-(methylamino)pyrrolidin-1-yl)-N2-neopentylpyridine-2,6-diamine
CID 54587788
1,2-Dimethyl-4-[ethyl(phenyl)amino]-6-(methylamino)-1-pyrimidinium
CID 3938007
1-Methyl-4-(6-methylpyridin-2-yl)piperazine
CID 10655345
1-(6-Iodopyridin-2-yl)-4-methylpiperazine
CID 10804369
6-(4-methylpiperazin-1-yl)-4-N-phenylpyrimidine-2,4-diamine
CID 16061839
n-Isobutyl-4-(4-methylpiperazin-1-yl)pyridin-2-amine
CID 44546966

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-2-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-2-amine (CID 53233904) is 4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-2-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-2-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-2-amine is CN1CCN(c2cc(N)nc(N3CCCC3)c2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-2-amine?
The InChIKey is RNWGMHYKGNBPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-17-6-8-18(9-7-17)12-10-13(15)16-14(11-12)19-4-2-3-5-19/h10-11H,2-9H2,1H3,(H2,15,16).
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-2-amine?
4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-2-amine has a molecular weight of 261.37 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-2-amine is sourced from PubChem (CID 53233904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).