2-(3-fluoro-4-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide

C15H16FN5O2 — CID 141414242

IUPAC2-(3-fluoro-4-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(Oc2ccc(N3CCNCC3)c(F)c2)n1
InChIInChI=1S/C15H16FN5O2/c16-11-9-10(1-2-13(11)21-7-5-18-6-8-21)23-15-19-4-3-12(20-15)14(17)22/h1-4,9,18H,5-8H2,(H2,17,22)
InChIKeyVXSQMZOSNZRAOH-UHFFFAOYSA-N
MW317.32 g/mol
LogP0.92
Rot. Bonds4

About 2-(3-fluoro-4-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide

2-(3-fluoro-4-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide (PubChem CID 141414242) has the molecular formula C15H16FN5O2 and a molecular weight of 317.32 g/mol. Its IUPAC name is 2-(3-fluoro-4-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-fluoro-4-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide
PubChem CID141414242
Molecular FormulaC15H16FN5O2
Molecular Weight317.32 g/mol
Exact Mass317.13
IUPAC Name2-(3-fluoro-4-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(Oc2ccc(N3CCNCC3)c(F)c2)n1
InChIInChI=1S/C15H16FN5O2/c16-11-9-10(1-2-13(11)21-7-5-18-6-8-21)23-15-19-4-3-12(20-15)14(17)22/h1-4,9,18H,5-8H2,(H2,17,22)
InChIKeyVXSQMZOSNZRAOH-UHFFFAOYSA-N
XLogP0.92
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 50.92
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-(2-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide
CID 141432984
2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidine-4-carboxylic acid
CID 107555049
1-[4-(2-ethylsulfonylethoxy)-2-fluorophenyl]piperazine
CID 65202165
2-methyl-5-(2-piperazin-1-ylpyrimidin-4-yl)oxybenzamide
CID 142787178
1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperazine
CID 65201736
4-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 133313517
1-(4-chloro-2-fluorophenyl)piperazine
CID 2783123
3-fluoro-N'-hydroxy-4-piperazin-1-ylbenzenecarboximidamide
CID 88870309
N-(3-fluoro-4-piperazin-1-ylphenyl)acetamide
CID 20785639
1-[2-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]piperazine
CID 82869734
1-[2-fluoro-4-[(3R,4R)-4-fluoropyrrolidin-3-yl]oxyphenyl]piperazine
CID 151864546

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3-fluoro-4-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide (CID 141414242) is 2-(3-fluoro-4-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-fluoro-4-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-fluoro-4-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide is NC(=O)c1ccnc(Oc2ccc(N3CCNCC3)c(F)c2)n1.
What is the InChIKey of 2-(3-fluoro-4-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide?
The InChIKey is VXSQMZOSNZRAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O2/c16-11-9-10(1-2-13(11)21-7-5-18-6-8-21)23-15-19-4-3-12(20-15)14(17)22/h1-4,9,18H,5-8H2,(H2,17,22).
What are the key properties of 2-(3-fluoro-4-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide?
2-(3-fluoro-4-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide has a molecular weight of 317.32 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide is sourced from PubChem (CID 141414242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).