5-chloro-4-(3-phenylphenyl)-N-piperidin-4-ylpyrimidin-2-amine

C21H21ClN4 — CID 172591502

IUPAC5-chloro-4-(3-phenylphenyl)-N-piperidin-4-ylpyrimidin-2-amine
SMILESClc1cnc(NC2CCNCC2)nc1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C21H21ClN4/c22-19-14-24-21(25-18-9-11-23-12-10-18)26-20(19)17-8-4-7-16(13-17)15-5-2-1-3-6-15/h1-8,13-14,18,23H,9-12H2,(H,24,25,26)
InChIKeyKONPHBAJFOWMML-UHFFFAOYSA-N
MW364.88 g/mol
LogP4.63
Rot. Bonds4

About 5-chloro-4-(3-phenylphenyl)-N-piperidin-4-ylpyrimidin-2-amine

5-chloro-4-(3-phenylphenyl)-N-piperidin-4-ylpyrimidin-2-amine (PubChem CID 172591502) has the molecular formula C21H21ClN4 and a molecular weight of 364.88 g/mol. Its IUPAC name is 5-chloro-4-(3-phenylphenyl)-N-piperidin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(3-phenylphenyl)-N-piperidin-4-ylpyrimidin-2-amine
PubChem CID172591502
Molecular FormulaC21H21ClN4
Molecular Weight364.88 g/mol
Exact Mass364.15
IUPAC Name5-chloro-4-(3-phenylphenyl)-N-piperidin-4-ylpyrimidin-2-amine
SMILESClc1cnc(NC2CCNCC2)nc1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C21H21ClN4/c22-19-14-24-21(25-18-9-11-23-12-10-18)26-20(19)17-8-4-7-16(13-17)15-5-2-1-3-6-15/h1-8,13-14,18,23H,9-12H2,(H,24,25,26)
InChIKeyKONPHBAJFOWMML-UHFFFAOYSA-N
XLogP4.63
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3-phenylphenyl)-N-piperidin-4-ylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(3-phenylphenyl)-N-piperidin-4-ylpyrimidin-2-amine (CID 172591502) is 5-chloro-4-(3-phenylphenyl)-N-piperidin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(3-phenylphenyl)-N-piperidin-4-ylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(3-phenylphenyl)-N-piperidin-4-ylpyrimidin-2-amine is Clc1cnc(NC2CCNCC2)nc1-c1cccc(-c2ccccc2)c1.
What is the InChIKey of 5-chloro-4-(3-phenylphenyl)-N-piperidin-4-ylpyrimidin-2-amine?
The InChIKey is KONPHBAJFOWMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4/c22-19-14-24-21(25-18-9-11-23-12-10-18)26-20(19)17-8-4-7-16(13-17)15-5-2-1-3-6-15/h1-8,13-14,18,23H,9-12H2,(H,24,25,26).
What are the key properties of 5-chloro-4-(3-phenylphenyl)-N-piperidin-4-ylpyrimidin-2-amine?
5-chloro-4-(3-phenylphenyl)-N-piperidin-4-ylpyrimidin-2-amine has a molecular weight of 364.88 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3-phenylphenyl)-N-piperidin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 172591502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).