2-(2-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide

C15H17N5O2 — CID 141432984

IUPAC2-(2-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(Oc2ccccc2N2CCNCC2)n1
InChIInChI=1S/C15H17N5O2/c16-14(21)11-5-6-18-15(19-11)22-13-4-2-1-3-12(13)20-9-7-17-8-10-20/h1-6,17H,7-10H2,(H2,16,21)
InChIKeyVSJPCVCXIFUMDT-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.78
Rot. Bonds4

About 2-(2-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide

2-(2-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide (PubChem CID 141432984) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-(2-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide
PubChem CID141432984
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name2-(2-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(Oc2ccccc2N2CCNCC2)n1
InChIInChI=1S/C15H17N5O2/c16-14(21)11-5-6-18-15(19-11)22-13-4-2-1-3-12(13)20-9-7-17-8-10-20/h1-6,17H,7-10H2,(H2,16,21)
InChIKeyVSJPCVCXIFUMDT-UHFFFAOYSA-N
XLogP0.78
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-fluoro-4-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide
CID 141414222
2-(3-fluoro-4-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide
CID 141414242
1-(2-phenoxyphenyl)piperazine
CID 12996705
2-[(2-piperazin-1-ylphenoxy)methyl]pyrimidine
CID 62700527
2-(4-piperazin-1-ylanilino)pyrimidine-4-carboxamide
CID 69247814
2-(2-piperazin-1-ylphenoxy)ethanol;hydrobromide
CID 117067034
8-piperazin-1-ylquinoline-3-carboxamide
CID 154407057
ethane;1-(2-ethoxyphenyl)piperazine
CID 142040905
1-[2-(pyridin-4-ylmethoxy)phenyl]piperazine;dihydrochloride
CID 67387967
acetaldehyde;1-(2-methoxyphenyl)piperazine
CID 157082158
2-(2-bromophenoxy)pyrimidine-4-carbothioamide
CID 107548482
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide (CID 141432984) is 2-(2-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide is NC(=O)c1ccnc(Oc2ccccc2N2CCNCC2)n1.
What is the InChIKey of 2-(2-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide?
The InChIKey is VSJPCVCXIFUMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c16-14(21)11-5-6-18-15(19-11)22-13-4-2-1-3-12(13)20-9-7-17-8-10-20/h1-6,17H,7-10H2,(H2,16,21).
What are the key properties of 2-(2-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide?
2-(2-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide is sourced from PubChem (CID 141432984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).