5-(2,3-difluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

C19H13F2N3O2 — CID 135651806

IUPAC5-(2,3-difluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESO=C1CC(c2cccc(F)c2F)c2c(nc(-c3ccccc3)[nH]c2=O)N1
InChIInChI=1S/C19H13F2N3O2/c20-13-8-4-7-11(16(13)21)12-9-14(25)22-18-15(12)19(26)24-17(23-18)10-5-2-1-3-6-10/h1-8,12H,9H2,(H2,22,23,24,25,26)
InChIKeyMSRWHVIHILKJEK-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.19
Rot. Bonds2

About 5-(2,3-difluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

5-(2,3-difluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 135651806) has the molecular formula C19H13F2N3O2 and a molecular weight of 353.33 g/mol. Its IUPAC name is 5-(2,3-difluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-(2,3-difluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID135651806
Molecular FormulaC19H13F2N3O2
Molecular Weight353.33 g/mol
Exact Mass353.10
IUPAC Name5-(2,3-difluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESO=C1CC(c2cccc(F)c2F)c2c(nc(-c3ccccc3)[nH]c2=O)N1
InChIInChI=1S/C19H13F2N3O2/c20-13-8-4-7-11(16(13)21)12-9-14(25)22-18-15(12)19(26)24-17(23-18)10-5-2-1-3-6-10/h1-8,12H,9H2,(H2,22,23,24,25,26)
InChIKeyMSRWHVIHILKJEK-UHFFFAOYSA-N
XLogP3.19
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(2,3-difluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione with MolForge

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Related Compounds

4-hydroxy-5-(3-methylphenyl)-2-phenyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
CID 135651930
2-Amino-5-(3,4-difluorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 138505648
4-(4-fluorophenyl)-7-methyl-3,4-dihydro-2H-dipyrido[1,2-a:3',2'-e]pyrimidine-2,5(1H)-dione
CID 5297284
4-hydroxy-5-(naphthalen-1-yl)-2-phenyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
CID 135652046
4-(3-Fluorophenyl)-7-methyl-3,4-dihydro-2H-dipyrido[1,2-A:3,2-E]pyrimidine-2,5(1H)-dione
CID 5296856
5-(2,5-difluorophenyl)-4-hydroxy-2-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
CID 135651886
2-phenyl-5-(4-(trifluoromethyl)phenyl)-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione
CID 135652527
5-(2,5-difluorophenyl)-4-hydroxy-2-phenyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
CID 135652000
5-(4-chlorophenyl)-4-hydroxy-2-phenyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
CID 135652352
2-amino-5-(3-fluorophenyl)-4-hydroxy-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
CID 135448548
2-Amino-5-(4-fluorophenyl)-5,6-dihydropyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione
CID 135472117
2-amino-5-(2-fluorophenyl)-4-hydroxy-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one
CID 135472301

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-(2,3-difluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 135651806) is 5-(2,3-difluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-(2,3-difluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-(2,3-difluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is O=C1CC(c2cccc(F)c2F)c2c(nc(-c3ccccc3)[nH]c2=O)N1.
What is the InChIKey of 5-(2,3-difluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is MSRWHVIHILKJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3O2/c20-13-8-4-7-11(16(13)21)12-9-14(25)22-18-15(12)19(26)24-17(23-18)10-5-2-1-3-6-10/h1-8,12H,9H2,(H2,22,23,24,25,26).
What are the key properties of 5-(2,3-difluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
5-(2,3-difluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 353.33 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 135651806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).