6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-2,3-diamine

C16H21N5 — CID 79827724

IUPAC6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-2,3-diamine
SMILESCc1cccc(N2CCN(c3ccc(N)c(N)n3)CC2)c1
InChIInChI=1S/C16H21N5/c1-12-3-2-4-13(11-12)20-7-9-21(10-8-20)15-6-5-14(17)16(18)19-15/h2-6,11H,7-10,17H2,1H3,(H2,18,19)
InChIKeyFDALPRKJGWRNCQ-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.88
Rot. Bonds2

About 6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-2,3-diamine

6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-2,3-diamine (PubChem CID 79827724) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-2,3-diamine
PubChem CID79827724
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-2,3-diamine
SMILESCc1cccc(N2CCN(c3ccc(N)c(N)n3)CC2)c1
InChIInChI=1S/C16H21N5/c1-12-3-2-4-13(11-12)20-7-9-21(10-8-20)15-6-5-14(17)16(18)19-15/h2-6,11H,7-10,17H2,1H3,(H2,18,19)
InChIKeyFDALPRKJGWRNCQ-UHFFFAOYSA-N
XLogP1.88
TPSA71.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridin-3-amine
CID 71683732
2-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridin-4-amine
CID 104918819
2-chloro-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine
CID 62477783
4-[4-(3-methylphenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 112888119
1-(3-methylphenyl)-4-(5-nitro-2-pyridinyl)piperazine
CID 27306784
[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]methanol
CID 61252606
3-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 60520649
5-iodo-2-[4-(3-methylphenyl)piperazin-1-yl]aniline
CID 66064668
1-(5-bromo-4-methyl-2-pyridinyl)-4-(3-methylphenyl)piperazine
CID 114870227
(4-amino-3-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 28748715
5-[4-(3-methylphenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112945994
N-(2,6-dimethylphenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112923455

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-2,3-diamine?
The IUPAC name of 6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-2,3-diamine (CID 79827724) is 6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-2,3-diamine.
What is the SMILES notation for 6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-2,3-diamine?
The canonical SMILES for 6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-2,3-diamine is Cc1cccc(N2CCN(c3ccc(N)c(N)n3)CC2)c1.
What is the InChIKey of 6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-2,3-diamine?
The InChIKey is FDALPRKJGWRNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-12-3-2-4-13(11-12)20-7-9-21(10-8-20)15-6-5-14(17)16(18)19-15/h2-6,11H,7-10,17H2,1H3,(H2,18,19).
What are the key properties of 6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-2,3-diamine?
6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-2,3-diamine has a molecular weight of 283.38 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-2,3-diamine is sourced from PubChem (CID 79827724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).