6-(4-ethylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide

C19H24FN5O — CID 109345270

IUPAC6-(4-ethylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide
SMILESCCN1CCN(c2cc(C(=O)NCCc3ccccc3F)ncn2)CC1
InChIInChI=1S/C19H24FN5O/c1-2-24-9-11-25(12-10-24)18-13-17(22-14-23-18)19(26)21-8-7-15-5-3-4-6-16(15)20/h3-6,13-14H,2,7-12H2,1H3,(H,21,26)
InChIKeySLNHWEMVEOULRF-UHFFFAOYSA-N
MW357.43 g/mol
LogP1.73
Rot. Bonds6

About 6-(4-ethylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide

6-(4-ethylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide (PubChem CID 109345270) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide
PubChem CID109345270
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC Name6-(4-ethylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide
SMILESCCN1CCN(c2cc(C(=O)NCCc3ccccc3F)ncn2)CC1
InChIInChI=1S/C19H24FN5O/c1-2-24-9-11-25(12-10-24)18-13-17(22-14-23-18)19(26)21-8-7-15-5-3-4-6-16(15)20/h3-6,13-14H,2,7-12H2,1H3,(H,21,26)
InChIKeySLNHWEMVEOULRF-UHFFFAOYSA-N
XLogP1.73
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109343472
6-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109345863
6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109345258
(4-ethylpiperazin-1-yl)-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]methanone
CID 109345442
N-cyclopropyl-6-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109339234
ethyl 4-[6-(2-phenylethylcarbamoyl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 109350551
6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109342168
6-(4-acetylpiperazin-1-yl)-N-butylpyrimidine-4-carboxamide
CID 109340018
5-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109104556
6-(4-ethylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109345359
6-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109345399
2-(4-ethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109302379

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide (CID 109345270) is 6-(4-ethylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide is CCN1CCN(c2cc(C(=O)NCCc3ccccc3F)ncn2)CC1.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is SLNHWEMVEOULRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O/c1-2-24-9-11-25(12-10-24)18-13-17(22-14-23-18)19(26)21-8-7-15-5-3-4-6-16(15)20/h3-6,13-14H,2,7-12H2,1H3,(H,21,26).
What are the key properties of 6-(4-ethylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide?
6-(4-ethylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109345270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).