2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-5-carboxamide

C19H22FN5O2 — CID 109254758

IUPAC2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-5-carboxamide
SMILESCC(=O)N1CCN(c2ncc(C(=O)NCCc3ccccc3F)cn2)CC1
InChIInChI=1S/C19H22FN5O2/c1-14(26)24-8-10-25(11-9-24)19-22-12-16(13-23-19)18(27)21-7-6-15-4-2-3-5-17(15)20/h2-5,12-13H,6-11H2,1H3,(H,21,27)
InChIKeyANKCQVPCNXDODO-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.26
Rot. Bonds5

About 2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-5-carboxamide

2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-5-carboxamide (PubChem CID 109254758) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-5-carboxamide
PubChem CID109254758
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-5-carboxamide
SMILESCC(=O)N1CCN(c2ncc(C(=O)NCCc3ccccc3F)cn2)CC1
InChIInChI=1S/C19H22FN5O2/c1-14(26)24-8-10-25(11-9-24)19-22-12-16(13-23-19)18(27)21-7-6-15-4-2-3-5-17(15)20/h2-5,12-13H,6-11H2,1H3,(H,21,27)
InChIKeyANKCQVPCNXDODO-UHFFFAOYSA-N
XLogP1.26
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109254745
5-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109187365
2-(azepan-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256918
1-[4-[2-[2-(2-fluorophenyl)ethylamino]pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254624
2-(4-acetylpiperazin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide
CID 109254777
2-(4-acetylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109254753
2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
CID 108984477
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-pentylpyrimidine-5-carboxamide
CID 109262108
6-fluoro-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 63973138
N-[2-(2-fluorophenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8595807
N-[2-(2-fluorophenyl)ethyl]-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide
CID 109253197
2-(4-acetylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 109254754

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-5-carboxamide (CID 109254758) is 2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-5-carboxamide is CC(=O)N1CCN(c2ncc(C(=O)NCCc3ccccc3F)cn2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is ANKCQVPCNXDODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2/c1-14(26)24-8-10-25(11-9-24)19-22-12-16(13-23-19)18(27)21-7-6-15-4-2-3-5-17(15)20/h2-5,12-13H,6-11H2,1H3,(H,21,27).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-5-carboxamide?
2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 1.26, 5 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-(2-fluorophenyl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109254758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).