1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-amine

C19H20N4 — CID 25216880

IUPAC1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-amine
SMILESNC1CCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1
InChIInChI=1S/C19H20N4/c20-17-8-11-23(12-9-17)19-21-10-7-18(22-19)16-6-5-14-3-1-2-4-15(14)13-16/h1-7,10,13,17H,8-9,11-12,20H2
InChIKeyVXWSVKIOGWIDKZ-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.22
Rot. Bonds2

About 1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-amine

1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-amine (PubChem CID 25216880) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-amine
PubChem CID25216880
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-amine
SMILESNC1CCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1
InChIInChI=1S/C19H20N4/c20-17-8-11-23(12-9-17)19-21-10-7-18(22-19)16-6-5-14-3-1-2-4-15(14)13-16/h1-7,10,13,17H,8-9,11-12,20H2
InChIKeyVXWSVKIOGWIDKZ-UHFFFAOYSA-N
XLogP3.22
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.22
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-amine?
The IUPAC name of 1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-amine (CID 25216880) is 1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-amine.
What is the SMILES notation for 1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-amine?
The canonical SMILES for 1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-amine is NC1CCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1.
What is the InChIKey of 1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-amine?
The InChIKey is VXWSVKIOGWIDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c20-17-8-11-23(12-9-17)19-21-10-7-18(22-19)16-6-5-14-3-1-2-4-15(14)13-16/h1-7,10,13,17H,8-9,11-12,20H2.
What are the key properties of 1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-amine?
1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-amine has a molecular weight of 304.40 g/mol, XLogP of 3.22, 2 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-amine is sourced from PubChem (CID 25216880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).