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

C15H16FN5O2 — CID 141414222

IUPAC2-(2-fluoro-4-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(Oc2ccc(N3CCNCC3)cc2F)n1
InChIInChI=1S/C15H16FN5O2/c16-11-9-10(21-7-5-18-6-8-21)1-2-13(11)23-15-19-4-3-12(20-15)14(17)22/h1-4,9,18H,5-8H2,(H2,17,22)
InChIKeyBSYQUTHRHUDSRB-UHFFFAOYSA-N
MW317.32 g/mol
LogP0.92
Rot. Bonds4

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

2-(2-fluoro-4-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide (PubChem CID 141414222) has the molecular formula C15H16FN5O2 and a molecular weight of 317.32 g/mol. Its IUPAC name is 2-(2-fluoro-4-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluoro-4-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide
PubChem CID141414222
Molecular FormulaC15H16FN5O2
Molecular Weight317.32 g/mol
Exact Mass317.13
IUPAC Name2-(2-fluoro-4-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(Oc2ccc(N3CCNCC3)cc2F)n1
InChIInChI=1S/C15H16FN5O2/c16-11-9-10(21-7-5-18-6-8-21)1-2-13(11)23-15-19-4-3-12(20-15)14(17)22/h1-4,9,18H,5-8H2,(H2,17,22)
InChIKeyBSYQUTHRHUDSRB-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-(3-fluoro-4-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide
CID 141414242
2-(2-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide
CID 141432984
2-(2-chloro-4-piperazin-1-ylphenoxy)-4-(trifluoromethyl)pyrimidine
CID 141414233
2-(4-piperazin-1-ylanilino)pyrimidine-4-carboxamide
CID 69247814
1-(3,4-difluorophenyl)piperazine
CID 2783122
4-(1,4-diazepan-1-yl)pyridine-2-carboxylic acid
CID 61402818
2-fluoro-N-methyl-4-piperazin-1-ylbenzamide
CID 133083293
ethane;5-piperazin-1-yl-1-benzofuran-2-carboxamide
CID 144805378
4-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 133313294
1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride
CID 22625407
4-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 133313517
3-(2-amino-4-piperazin-1-ylphenoxy)propyl acetate
CID 172562086

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-fluoro-4-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide (CID 141414222) is 2-(2-fluoro-4-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-fluoro-4-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-fluoro-4-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide is NC(=O)c1ccnc(Oc2ccc(N3CCNCC3)cc2F)n1.
What is the InChIKey of 2-(2-fluoro-4-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide?
The InChIKey is BSYQUTHRHUDSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O2/c16-11-9-10(21-7-5-18-6-8-21)1-2-13(11)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-(2-fluoro-4-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide?
2-(2-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-(2-fluoro-4-piperazin-1-ylphenoxy)pyrimidine-4-carboxamide is sourced from PubChem (CID 141414222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).