2-phenyl-6-piperazin-1-ylpyrimidine-4-carboxamide

C15H17N5O — CID 141154526

IUPAC2-phenyl-6-piperazin-1-ylpyrimidine-4-carboxamide
SMILESNC(=O)c1cc(N2CCNCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C15H17N5O/c16-14(21)12-10-13(20-8-6-17-7-9-20)19-15(18-12)11-4-2-1-3-5-11/h1-5,10,17H,6-9H2,(H2,16,21)
InChIKeyQLVDLXNDRVRKOE-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.65
Rot. Bonds3

About 2-phenyl-6-piperazin-1-ylpyrimidine-4-carboxamide

2-phenyl-6-piperazin-1-ylpyrimidine-4-carboxamide (PubChem CID 141154526) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-phenyl-6-piperazin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-6-piperazin-1-ylpyrimidine-4-carboxamide
PubChem CID141154526
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name2-phenyl-6-piperazin-1-ylpyrimidine-4-carboxamide
SMILESNC(=O)c1cc(N2CCNCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C15H17N5O/c16-14(21)12-10-13(20-8-6-17-7-9-20)19-15(18-12)11-4-2-1-3-5-11/h1-5,10,17H,6-9H2,(H2,16,21)
InChIKeyQLVDLXNDRVRKOE-UHFFFAOYSA-N
XLogP0.65
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-piperazin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-phenyl-6-piperazin-1-ylpyrimidine-4-carboxamide (CID 141154526) is 2-phenyl-6-piperazin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-phenyl-6-piperazin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-phenyl-6-piperazin-1-ylpyrimidine-4-carboxamide is NC(=O)c1cc(N2CCNCC2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-6-piperazin-1-ylpyrimidine-4-carboxamide?
The InChIKey is QLVDLXNDRVRKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c16-14(21)12-10-13(20-8-6-17-7-9-20)19-15(18-12)11-4-2-1-3-5-11/h1-5,10,17H,6-9H2,(H2,16,21).
What are the key properties of 2-phenyl-6-piperazin-1-ylpyrimidine-4-carboxamide?
2-phenyl-6-piperazin-1-ylpyrimidine-4-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-piperazin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 141154526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).