2-(3,4,5-trimethylpiperazin-1-yl)pyridin-4-amine

C12H20N4 — CID 114543057

IUPAC2-(3,4,5-trimethylpiperazin-1-yl)pyridin-4-amine
SMILESCC1CN(c2cc(N)ccn2)CC(C)N1C
InChIInChI=1S/C12H20N4/c1-9-7-16(8-10(2)15(9)3)12-6-11(13)4-5-14-12/h4-6,9-10H,7-8H2,1-3H3,(H2,13,14)
InChIKeyQRHGRJWHZQAAKB-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.19
Rot. Bonds1

About 2-(3,4,5-trimethylpiperazin-1-yl)pyridin-4-amine

2-(3,4,5-trimethylpiperazin-1-yl)pyridin-4-amine (PubChem CID 114543057) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(3,4,5-trimethylpiperazin-1-yl)pyridin-4-amine.

Molecular Properties

Compound Name2-(3,4,5-trimethylpiperazin-1-yl)pyridin-4-amine
PubChem CID114543057
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name2-(3,4,5-trimethylpiperazin-1-yl)pyridin-4-amine
SMILESCC1CN(c2cc(N)ccn2)CC(C)N1C
InChIInChI=1S/C12H20N4/c1-9-7-16(8-10(2)15(9)3)12-6-11(13)4-5-14-12/h4-6,9-10H,7-8H2,1-3H3,(H2,13,14)
InChIKeyQRHGRJWHZQAAKB-UHFFFAOYSA-N
XLogP1.19
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-4-amine
CID 130140544
N-[[2-(3,4,5-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 114539900
(3R)-1-(4-amino-2-pyridinyl)pyrrolidin-3-ol
CID 94895351
2-[4-(2-methylpropyl)piperazin-1-yl]pyridin-4-amine
CID 62776997
2-[(3R)-3-methoxypiperidin-1-yl]pyridin-4-amine
CID 129413992
4-(3,4,5-trimethylpiperazin-1-yl)quinazolin-7-amine
CID 114543048
2-[3-(methoxymethyl)piperidin-1-yl]pyridin-4-amine
CID 106585882
2-(4-cyclopentylpiperazin-1-yl)pyridin-4-amine
CID 62367922
2-propan-2-yl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 114541833
2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridin-4-amine
CID 79930729
(2S,6R)-4-(4-tert-butyl-2-pyridinyl)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperazine
CID 163807662
4-bromo-2-(3-methylazetidin-1-yl)pyridine
CID 102820786

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5-trimethylpiperazin-1-yl)pyridin-4-amine?
The IUPAC name of 2-(3,4,5-trimethylpiperazin-1-yl)pyridin-4-amine (CID 114543057) is 2-(3,4,5-trimethylpiperazin-1-yl)pyridin-4-amine.
What is the SMILES notation for 2-(3,4,5-trimethylpiperazin-1-yl)pyridin-4-amine?
The canonical SMILES for 2-(3,4,5-trimethylpiperazin-1-yl)pyridin-4-amine is CC1CN(c2cc(N)ccn2)CC(C)N1C.
What is the InChIKey of 2-(3,4,5-trimethylpiperazin-1-yl)pyridin-4-amine?
The InChIKey is QRHGRJWHZQAAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-9-7-16(8-10(2)15(9)3)12-6-11(13)4-5-14-12/h4-6,9-10H,7-8H2,1-3H3,(H2,13,14).
What are the key properties of 2-(3,4,5-trimethylpiperazin-1-yl)pyridin-4-amine?
2-(3,4,5-trimethylpiperazin-1-yl)pyridin-4-amine has a molecular weight of 220.32 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5-trimethylpiperazin-1-yl)pyridin-4-amine is sourced from PubChem (CID 114543057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).