2-(4-acetylpiperazin-1-yl)-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide

C17H17F2N5O2 — CID 109303095

IUPAC2-(4-acetylpiperazin-1-yl)-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
SMILESCC(=O)N1CCN(c2nccc(C(=O)Nc3ccc(F)cc3F)n2)CC1
InChIInChI=1S/C17H17F2N5O2/c1-11(25)23-6-8-24(9-7-23)17-20-5-4-15(22-17)16(26)21-14-3-2-12(18)10-13(14)19/h2-5,10H,6-9H2,1H3,(H,21,26)
InChIKeyBYNWFLOAUJMTIF-UHFFFAOYSA-N
MW361.35 g/mol
LogP1.68
Rot. Bonds3

About 2-(4-acetylpiperazin-1-yl)-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide

2-(4-acetylpiperazin-1-yl)-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide (PubChem CID 109303095) has the molecular formula C17H17F2N5O2 and a molecular weight of 361.35 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
PubChem CID109303095
Molecular FormulaC17H17F2N5O2
Molecular Weight361.35 g/mol
Exact Mass361.14
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
SMILESCC(=O)N1CCN(c2nccc(C(=O)Nc3ccc(F)cc3F)n2)CC1
InChIInChI=1S/C17H17F2N5O2/c1-11(25)23-6-8-24(9-7-23)17-20-5-4-15(22-17)16(26)21-14-3-2-12(18)10-13(14)19/h2-5,10H,6-9H2,1H3,(H,21,26)
InChIKeyBYNWFLOAUJMTIF-UHFFFAOYSA-N
XLogP1.68
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109303109
2-(4-acetylpiperazin-1-yl)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109303069
2-(azepan-1-yl)-N-(2,4-difluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334416
ethyl 4-[4-[(3-fluorophenyl)carbamoyl]pyrimidin-2-yl]piperazine-1-carboxylate
CID 109310266
N-(2,4-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84574184
2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109303008
2-(azepan-1-yl)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109313205
N-(2,6-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109310649
N-(2,4-difluorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084394
2-(4-methylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109302140
2-(4-acetylpiperazin-1-yl)-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109326599
1-[4-[2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109302025

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide (CID 109303095) is 2-(4-acetylpiperazin-1-yl)-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide is CC(=O)N1CCN(c2nccc(C(=O)Nc3ccc(F)cc3F)n2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is BYNWFLOAUJMTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5O2/c1-11(25)23-6-8-24(9-7-23)17-20-5-4-15(22-17)16(26)21-14-3-2-12(18)10-13(14)19/h2-5,10H,6-9H2,1H3,(H,21,26).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide?
2-(4-acetylpiperazin-1-yl)-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide has a molecular weight of 361.35 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109303095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).