5-fluoro-1-[[4-fluoro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]quinazoline-2,4-dione

C24H20F2N6O3 — CID 134324550

IUPAC5-fluoro-1-[[4-fluoro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]quinazoline-2,4-dione
SMILESO=C(c1cc(F)ccc1Cn1c(=O)[nH]c(=O)c2c(F)cccc21)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C24H20F2N6O3/c25-16-6-5-15(14-32-19-4-1-3-18(26)20(19)21(33)29-24(32)35)17(13-16)22(34)30-9-11-31(12-10-30)23-27-7-2-8-28-23/h1-8,13H,9-12,14H2,(H,29,33,35)
InChIKeyLGLYABVDWJBONL-UHFFFAOYSA-N
MW478.46 g/mol
LogP1.77
Rot. Bonds4

About 5-fluoro-1-[[4-fluoro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]quinazoline-2,4-dione

5-fluoro-1-[[4-fluoro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]quinazoline-2,4-dione (PubChem CID 134324550) has the molecular formula C24H20F2N6O3 and a molecular weight of 478.46 g/mol. Its IUPAC name is 5-fluoro-1-[[4-fluoro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[[4-fluoro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]quinazoline-2,4-dione
PubChem CID134324550
Molecular FormulaC24H20F2N6O3
Molecular Weight478.46 g/mol
Exact Mass478.16
IUPAC Name5-fluoro-1-[[4-fluoro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]quinazoline-2,4-dione
SMILESO=C(c1cc(F)ccc1Cn1c(=O)[nH]c(=O)c2c(F)cccc21)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C24H20F2N6O3/c25-16-6-5-15(14-32-19-4-1-3-18(26)20(19)21(33)29-24(32)35)17(13-16)22(34)30-9-11-31(12-10-30)23-27-7-2-8-28-23/h1-8,13H,9-12,14H2,(H,29,33,35)
InChIKeyLGLYABVDWJBONL-UHFFFAOYSA-N
XLogP1.77
TPSA104.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.46
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-fluoro-1-[[4-fluoro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]quinazoline-2,4-dione with MolForge

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Related Compounds

5-fluoro-1-[[4-phosphanyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]quinazoline-2,4-dione
CID 155358471
1-[[4-fluoro-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-dione
CID 71556390
ethane;1-[[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methyl]quinazoline-2,4-dione
CID 145007728
1-ethyl-7-propan-2-yl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 39297806
5-fluoro-1-[[4-fluoro-3-[4-[4-[(2-methyl-3-oxo-1-pyridin-2-ylpyrazolo[3,4-b]pyrazin-6-yl)amino]phenyl]piperazine-1-carbonyl]phenyl]methyl]quinazoline-2,4-dione
CID 176870553
3-[(2-chlorophenyl)methyl]-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 71778444
1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinazoline-2,4-dione
CID 25392952
3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one
CID 113195210
(2-chloro-6-fluorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707486
4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110701217
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 33466238
[4-fluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 24539423

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[[4-fluoro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]quinazoline-2,4-dione?
The IUPAC name of 5-fluoro-1-[[4-fluoro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]quinazoline-2,4-dione (CID 134324550) is 5-fluoro-1-[[4-fluoro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]quinazoline-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[[4-fluoro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]quinazoline-2,4-dione?
The canonical SMILES for 5-fluoro-1-[[4-fluoro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]quinazoline-2,4-dione is O=C(c1cc(F)ccc1Cn1c(=O)[nH]c(=O)c2c(F)cccc21)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 5-fluoro-1-[[4-fluoro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]quinazoline-2,4-dione?
The InChIKey is LGLYABVDWJBONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N6O3/c25-16-6-5-15(14-32-19-4-1-3-18(26)20(19)21(33)29-24(32)35)17(13-16)22(34)30-9-11-31(12-10-30)23-27-7-2-8-28-23/h1-8,13H,9-12,14H2,(H,29,33,35).
What are the key properties of 5-fluoro-1-[[4-fluoro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]quinazoline-2,4-dione?
5-fluoro-1-[[4-fluoro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]quinazoline-2,4-dione has a molecular weight of 478.46 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[[4-fluoro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]quinazoline-2,4-dione is sourced from PubChem (CID 134324550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).