[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine

C20H22N4 — CID 25199517

IUPAC[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine
SMILESNCC1CCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1
InChIInChI=1S/C20H22N4/c21-14-15-8-11-24(12-9-15)20-22-10-7-19(23-20)18-6-5-16-3-1-2-4-17(16)13-18/h1-7,10,13,15H,8-9,11-12,14,21H2
InChIKeyQHLITPHIARVDJI-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.47
Rot. Bonds3

About [1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine

[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine (PubChem CID 25199517) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is [1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine
PubChem CID25199517
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine
SMILESNCC1CCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1
InChIInChI=1S/C20H22N4/c21-14-15-8-11-24(12-9-15)20-22-10-7-19(23-20)18-6-5-16-3-1-2-4-17(16)13-18/h1-7,10,13,15H,8-9,11-12,14,21H2
InChIKeyQHLITPHIARVDJI-UHFFFAOYSA-N
XLogP3.47
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine (CID 25199517) is [1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine is NCC1CCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1.
What is the InChIKey of [1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine?
The InChIKey is QHLITPHIARVDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c21-14-15-8-11-24(12-9-15)20-22-10-7-19(23-20)18-6-5-16-3-1-2-4-17(16)13-18/h1-7,10,13,15H,8-9,11-12,14,21H2.
What are the key properties of [1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine?
[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine has a molecular weight of 318.42 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 25199517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).