2-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide

C19H22FN5O2 — CID 109326558

IUPAC2-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
SMILESCC(=O)N1CCN(c2nc(C)cc(C(=O)NCc3ccccc3F)n2)CC1
InChIInChI=1S/C19H22FN5O2/c1-13-11-17(18(27)21-12-15-5-3-4-6-16(15)20)23-19(22-13)25-9-7-24(8-10-25)14(2)26/h3-6,11H,7-10,12H2,1-2H3,(H,21,27)
InChIKeyNRRTZTFCJPSMCZ-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.52
Rot. Bonds4

About 2-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide

2-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide (PubChem CID 109326558) 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-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
PubChem CID109326558
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
SMILESCC(=O)N1CCN(c2nc(C)cc(C(=O)NCc3ccccc3F)n2)CC1
InChIInChI=1S/C19H22FN5O2/c1-13-11-17(18(27)21-12-15-5-3-4-6-16(15)20)23-19(22-13)25-9-7-24(8-10-25)14(2)26/h3-6,11H,7-10,12H2,1-2H3,(H,21,27)
InChIKeyNRRTZTFCJPSMCZ-UHFFFAOYSA-N
XLogP1.52
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-fluorophenyl)methyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 56731245
2-(azepan-1-yl)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330747
2-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328560
N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324210
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328561
2-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109254745
6-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109345863
1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 56820365
4-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 119069802
N-benzyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109327232
N-benzyl-6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109327241
2-(4-acetylpiperazin-1-yl)-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109326608

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide (CID 109326558) is 2-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide is CC(=O)N1CCN(c2nc(C)cc(C(=O)NCc3ccccc3F)n2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is NRRTZTFCJPSMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2/c1-13-11-17(18(27)21-12-15-5-3-4-6-16(15)20)23-19(22-13)25-9-7-24(8-10-25)14(2)26/h3-6,11H,7-10,12H2,1-2H3,(H,21,27).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide?
2-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 1.52, 4 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-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109326558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).