6-(3-oxopiperazin-1-yl)-2,5-diphenylpyrimidine-4-carboxamide

C21H19N5O2 — CID 142784763

IUPAC6-(3-oxopiperazin-1-yl)-2,5-diphenylpyrimidine-4-carboxamide
SMILESNC(=O)c1nc(-c2ccccc2)nc(N2CCNC(=O)C2)c1-c1ccccc1
InChIInChI=1S/C21H19N5O2/c22-19(28)18-17(14-7-3-1-4-8-14)21(26-12-11-23-16(27)13-26)25-20(24-18)15-9-5-2-6-10-15/h1-10H,11-13H2,(H2,22,28)(H,23,27)
InChIKeyJYZKKNXFBFKNKL-UHFFFAOYSA-N
MW373.42 g/mol
LogP1.85
Rot. Bonds4

About 6-(3-oxopiperazin-1-yl)-2,5-diphenylpyrimidine-4-carboxamide

6-(3-oxopiperazin-1-yl)-2,5-diphenylpyrimidine-4-carboxamide (PubChem CID 142784763) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 6-(3-oxopiperazin-1-yl)-2,5-diphenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-oxopiperazin-1-yl)-2,5-diphenylpyrimidine-4-carboxamide
PubChem CID142784763
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name6-(3-oxopiperazin-1-yl)-2,5-diphenylpyrimidine-4-carboxamide
SMILESNC(=O)c1nc(-c2ccccc2)nc(N2CCNC(=O)C2)c1-c1ccccc1
InChIInChI=1S/C21H19N5O2/c22-19(28)18-17(14-7-3-1-4-8-14)21(26-12-11-23-16(27)13-26)25-20(24-18)15-9-5-2-6-10-15/h1-10H,11-13H2,(H2,22,28)(H,23,27)
InChIKeyJYZKKNXFBFKNKL-UHFFFAOYSA-N
XLogP1.85
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-oxopiperazin-1-yl)-2,5-diphenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3-oxopiperazin-1-yl)-2,5-diphenylpyrimidine-4-carboxamide (CID 142784763) is 6-(3-oxopiperazin-1-yl)-2,5-diphenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-oxopiperazin-1-yl)-2,5-diphenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-oxopiperazin-1-yl)-2,5-diphenylpyrimidine-4-carboxamide is NC(=O)c1nc(-c2ccccc2)nc(N2CCNC(=O)C2)c1-c1ccccc1.
What is the InChIKey of 6-(3-oxopiperazin-1-yl)-2,5-diphenylpyrimidine-4-carboxamide?
The InChIKey is JYZKKNXFBFKNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c22-19(28)18-17(14-7-3-1-4-8-14)21(26-12-11-23-16(27)13-26)25-20(24-18)15-9-5-2-6-10-15/h1-10H,11-13H2,(H2,22,28)(H,23,27).
What are the key properties of 6-(3-oxopiperazin-1-yl)-2,5-diphenylpyrimidine-4-carboxamide?
6-(3-oxopiperazin-1-yl)-2,5-diphenylpyrimidine-4-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-oxopiperazin-1-yl)-2,5-diphenylpyrimidine-4-carboxamide is sourced from PubChem (CID 142784763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).