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

C18H22FN5O — CID 109302379

IUPAC2-(4-ethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
SMILESCCN1CCN(c2nccc(C(=O)NCc3ccccc3F)n2)CC1
InChIInChI=1S/C18H22FN5O/c1-2-23-9-11-24(12-10-23)18-20-8-7-16(22-18)17(25)21-13-14-5-3-4-6-15(14)19/h3-8H,2,9-13H2,1H3,(H,21,25)
InChIKeyMNLRFKUBIGJFCC-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.69
Rot. Bonds5

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

2-(4-ethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109302379) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109302379
Molecular FormulaC18H22FN5O
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
SMILESCCN1CCN(c2nccc(C(=O)NCc3ccccc3F)n2)CC1
InChIInChI=1S/C18H22FN5O/c1-2-23-9-11-24(12-10-23)18-20-8-7-16(22-18)17(25)21-13-14-5-3-4-6-15(14)19/h3-8H,2,9-13H2,1H3,(H,21,25)
InChIKeyMNLRFKUBIGJFCC-UHFFFAOYSA-N
XLogP1.69
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302046
2-(4-ethylpiperazin-1-yl)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109302376
N-[2-(dimethylamino)ethyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109301231
2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109302377
N-(2-bromophenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302496
N-(2,6-dimethylphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302442
2-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109326558
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109299842
N-[(2-chlorophenyl)methyl]-2-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302685
2-(4-acetylpiperazin-1-yl)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109303109
2-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109302434
4-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109208557

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide (CID 109302379) is 2-(4-ethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide is CCN1CCN(c2nccc(C(=O)NCc3ccccc3F)n2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is MNLRFKUBIGJFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O/c1-2-23-9-11-24(12-10-23)18-20-8-7-16(22-18)17(25)21-13-14-5-3-4-6-15(14)19/h3-8H,2,9-13H2,1H3,(H,21,25).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide?
2-(4-ethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109302379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).