4-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine

C20H24N6 — CID 56715573

IUPAC4-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCCC(c3[nH]ncc3Cc3ccccc3)C2)nc(N)n1
InChIInChI=1S/C20H24N6/c1-14-10-18(24-20(21)23-14)26-9-5-8-16(13-26)19-17(12-22-25-19)11-15-6-3-2-4-7-15/h2-4,6-7,10,12,16H,5,8-9,11,13H2,1H3,(H,22,25)(H2,21,23,24)
InChIKeyDWTRPAMRLVTADE-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.07
Rot. Bonds4

About 4-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine

4-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine (PubChem CID 56715573) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine
PubChem CID56715573
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name4-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCCC(c3[nH]ncc3Cc3ccccc3)C2)nc(N)n1
InChIInChI=1S/C20H24N6/c1-14-10-18(24-20(21)23-14)26-9-5-8-16(13-26)19-17(12-22-25-19)11-15-6-3-2-4-7-15/h2-4,6-7,10,12,16H,5,8-9,11,13H2,1H3,(H,22,25)(H2,21,23,24)
InChIKeyDWTRPAMRLVTADE-UHFFFAOYSA-N
XLogP3.07
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine?
The IUPAC name of 4-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine (CID 56715573) is 4-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine is Cc1cc(N2CCCC(c3[nH]ncc3Cc3ccccc3)C2)nc(N)n1.
What is the InChIKey of 4-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine?
The InChIKey is DWTRPAMRLVTADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-14-10-18(24-20(21)23-14)26-9-5-8-16(13-26)19-17(12-22-25-19)11-15-6-3-2-4-7-15/h2-4,6-7,10,12,16H,5,8-9,11,13H2,1H3,(H,22,25)(H2,21,23,24).
What are the key properties of 4-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine?
4-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine has a molecular weight of 348.45 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 56715573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).