3-[1-(2-amino-4-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-1-yl)ethyl]-5-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide

C25H30F2N4O2 — CID 78165039

IUPAC3-[1-(2-amino-4-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-1-yl)ethyl]-5-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(F)cc(C(C)N2C(=O)CC(C)(C(C)C)N=C2N)c1)c1ccc(F)cc1
InChIInChI=1S/C25H30F2N4O2/c1-14(2)25(5)13-22(32)31(24(28)30-25)16(4)18-10-19(12-21(27)11-18)23(33)29-15(3)17-6-8-20(26)9-7-17/h6-12,14-16H,13H2,1-5H3,(H2,28,30)(H,29,33)
InChIKeyDCYDUICZDSVDMP-UHFFFAOYSA-N
MW456.54 g/mol
LogP4.48
Rot. Bonds6

About 3-[1-(2-amino-4-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-1-yl)ethyl]-5-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide

3-[1-(2-amino-4-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-1-yl)ethyl]-5-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide (PubChem CID 78165039) has the molecular formula C25H30F2N4O2 and a molecular weight of 456.54 g/mol. Its IUPAC name is 3-[1-(2-amino-4-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-1-yl)ethyl]-5-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-[1-(2-amino-4-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-1-yl)ethyl]-5-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
PubChem CID78165039
Molecular FormulaC25H30F2N4O2
Molecular Weight456.54 g/mol
Exact Mass456.23
IUPAC Name3-[1-(2-amino-4-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-1-yl)ethyl]-5-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(F)cc(C(C)N2C(=O)CC(C)(C(C)C)N=C2N)c1)c1ccc(F)cc1
InChIInChI=1S/C25H30F2N4O2/c1-14(2)25(5)13-22(32)31(24(28)30-25)16(4)18-10-19(12-21(27)11-18)23(33)29-15(3)17-6-8-20(26)9-7-17/h6-12,14-16H,13H2,1-5H3,(H2,28,30)(H,29,33)
InChIKeyDCYDUICZDSVDMP-UHFFFAOYSA-N
XLogP4.48
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[1-(2-amino-4-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-1-yl)ethyl]-5-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-[1-[3-fluoro-5-[[1-(3-fluorophenyl)ethylamino]-hydroxymethyl]phenyl]ethyl]-6-methyl-6-propan-2-yl-5H-pyrimidin-4-one
CID 123197341
3,5-difluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 43906716
(6S)-2-amino-6-methyl-3-[(1R)-1-(3-methylphenyl)ethyl]-6-propan-2-yl-5H-pyrimidin-4-one
CID 145355342
3-[[2-amino-4-methyl-4-(2-methylpropyl)-6-oxo-5H-pyrimidin-1-yl]methyl]-N-[1-(3,5-difluorophenyl)ethyl]-5-fluorobenzamide
CID 78165022
3-fluoro-5-[1-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-4-propan-2-yl-5H-pyrimidin-1-yl]ethyl]benzoic acid
CID 123598789
3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 43003580
3-[[(4S)-2-amino-4-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-1-yl]methyl]-N-[(1S)-3-methoxy-1-(4-methylphenyl)propyl]-5-methylbenzamide
CID 154599894
N-[1-(4-fluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 24544300
(6S)-2-amino-3-[[3-(1,3-dihydroisoindole-2-carbonyl)-5-fluorophenyl]methyl]-6-methyl-6-propan-2-yl-5H-pyrimidin-4-one
CID 130357359
5-amino-2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 115297455
4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 2454749
6-amino-N-[1-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 55041899

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-amino-4-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-1-yl)ethyl]-5-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of 3-[1-(2-amino-4-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-1-yl)ethyl]-5-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide (CID 78165039) is 3-[1-(2-amino-4-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-1-yl)ethyl]-5-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 3-[1-(2-amino-4-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-1-yl)ethyl]-5-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 3-[1-(2-amino-4-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-1-yl)ethyl]-5-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide is CC(NC(=O)c1cc(F)cc(C(C)N2C(=O)CC(C)(C(C)C)N=C2N)c1)c1ccc(F)cc1.
What is the InChIKey of 3-[1-(2-amino-4-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-1-yl)ethyl]-5-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is DCYDUICZDSVDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N4O2/c1-14(2)25(5)13-22(32)31(24(28)30-25)16(4)18-10-19(12-21(27)11-18)23(33)29-15(3)17-6-8-20(26)9-7-17/h6-12,14-16H,13H2,1-5H3,(H2,28,30)(H,29,33).
What are the key properties of 3-[1-(2-amino-4-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-1-yl)ethyl]-5-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide?
3-[1-(2-amino-4-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-1-yl)ethyl]-5-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 456.54 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-amino-4-methyl-6-oxo-4-propan-2-yl-5H-pyrimidin-1-yl)ethyl]-5-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 78165039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).