5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methylpyridin-2-amine

C18H24N4 — CID 83970373

IUPAC5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methylpyridin-2-amine
SMILESCc1cc(N2CCN(c3cccc(C)c3C)CC2)cnc1N
InChIInChI=1S/C18H24N4/c1-13-5-4-6-17(15(13)3)22-9-7-21(8-10-22)16-11-14(2)18(19)20-12-16/h4-6,11-12H,7-10H2,1-3H3,(H2,19,20)
InChIKeySJYOIMJKNCQMFR-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.92
Rot. Bonds2

About 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methylpyridin-2-amine

5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methylpyridin-2-amine (PubChem CID 83970373) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methylpyridin-2-amine
PubChem CID83970373
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methylpyridin-2-amine
SMILESCc1cc(N2CCN(c3cccc(C)c3C)CC2)cnc1N
InChIInChI=1S/C18H24N4/c1-13-5-4-6-17(15(13)3)22-9-7-21(8-10-22)16-11-14(2)18(19)20-12-16/h4-6,11-12H,7-10H2,1-3H3,(H2,19,20)
InChIKeySJYOIMJKNCQMFR-UHFFFAOYSA-N
XLogP2.92
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylpyridin-2-amine
CID 83970369
5-chloro-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine
CID 155942484
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethylpyridine-2-carboxamide
CID 109194309
1-(2,3-dimethylphenyl)-4-[6-(dimethylsulfamoylamino)-3-pyridinyl]piperazine
CID 113029435
(2-amino-4-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 110854415
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
CID 19140378
1-(3-bromo-4-pyridinyl)-4-(2,3-dimethylphenyl)piperazine
CID 104777973
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide
CID 109222825
(5,6-dichloro-3-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 2102498
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-morpholin-4-yl-3-pyridinyl)methanone
CID 109228601
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133290739
4-N-tert-butyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 22540364

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methylpyridin-2-amine?
The IUPAC name of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methylpyridin-2-amine (CID 83970373) is 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methylpyridin-2-amine.
What is the SMILES notation for 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methylpyridin-2-amine?
The canonical SMILES for 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methylpyridin-2-amine is Cc1cc(N2CCN(c3cccc(C)c3C)CC2)cnc1N.
What is the InChIKey of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methylpyridin-2-amine?
The InChIKey is SJYOIMJKNCQMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-13-5-4-6-17(15(13)3)22-9-7-21(8-10-22)16-11-14(2)18(19)20-12-16/h4-6,11-12H,7-10H2,1-3H3,(H2,19,20).
What are the key properties of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methylpyridin-2-amine?
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methylpyridin-2-amine has a molecular weight of 296.42 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methylpyridin-2-amine is sourced from PubChem (CID 83970373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).