N-(2,3-dimethylphenyl)-4-piperidin-1-ylpyrimidin-2-amine

C17H22N4 — CID 112884524

IUPACN-(2,3-dimethylphenyl)-4-piperidin-1-ylpyrimidin-2-amine
SMILESCc1cccc(Nc2nccc(N3CCCCC3)n2)c1C
InChIInChI=1S/C17H22N4/c1-13-7-6-8-15(14(13)2)19-17-18-10-9-16(20-17)21-11-4-3-5-12-21/h6-10H,3-5,11-12H2,1-2H3,(H,18,19,20)
InChIKeyLYWMYDJEHZRQIA-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.83
Rot. Bonds3

About N-(2,3-dimethylphenyl)-4-piperidin-1-ylpyrimidin-2-amine

N-(2,3-dimethylphenyl)-4-piperidin-1-ylpyrimidin-2-amine (PubChem CID 112884524) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-piperidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-piperidin-1-ylpyrimidin-2-amine
PubChem CID112884524
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-(2,3-dimethylphenyl)-4-piperidin-1-ylpyrimidin-2-amine
SMILESCc1cccc(Nc2nccc(N3CCCCC3)n2)c1C
InChIInChI=1S/C17H22N4/c1-13-7-6-8-15(14(13)2)19-17-18-10-9-16(20-17)21-11-4-3-5-12-21/h6-10H,3-5,11-12H2,1-2H3,(H,18,19,20)
InChIKeyLYWMYDJEHZRQIA-UHFFFAOYSA-N
XLogP3.83
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-piperidin-1-ylpyrimidin-2-amine?
The IUPAC name of N-(2,3-dimethylphenyl)-4-piperidin-1-ylpyrimidin-2-amine (CID 112884524) is N-(2,3-dimethylphenyl)-4-piperidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-piperidin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-piperidin-1-ylpyrimidin-2-amine is Cc1cccc(Nc2nccc(N3CCCCC3)n2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-piperidin-1-ylpyrimidin-2-amine?
The InChIKey is LYWMYDJEHZRQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-13-7-6-8-15(14(13)2)19-17-18-10-9-16(20-17)21-11-4-3-5-12-21/h6-10H,3-5,11-12H2,1-2H3,(H,18,19,20).
What are the key properties of N-(2,3-dimethylphenyl)-4-piperidin-1-ylpyrimidin-2-amine?
N-(2,3-dimethylphenyl)-4-piperidin-1-ylpyrimidin-2-amine has a molecular weight of 282.39 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-piperidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 112884524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).