4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-3H-pyrido[2,3-d]pyrimidine-2,7-dione

C20H13F2N3O2 — CID 59639560

IUPAC4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-3H-pyrido[2,3-d]pyrimidine-2,7-dione
SMILESCc1cc(F)ccc1-c1[nH]c(=O)nc2c1ccc(=O)n2-c1ccccc1F
InChIInChI=1S/C20H13F2N3O2/c1-11-10-12(21)6-7-13(11)18-14-8-9-17(26)25(19(14)24-20(27)23-18)16-5-3-2-4-15(16)22/h2-10H,1H3,(H,23,24,27)
InChIKeyTYBZPCADKYACIB-UHFFFAOYSA-N
MW365.34 g/mol
LogP3.33
Rot. Bonds2

About 4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-3H-pyrido[2,3-d]pyrimidine-2,7-dione

4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-3H-pyrido[2,3-d]pyrimidine-2,7-dione (PubChem CID 59639560) has the molecular formula C20H13F2N3O2 and a molecular weight of 365.34 g/mol. Its IUPAC name is 4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-3H-pyrido[2,3-d]pyrimidine-2,7-dione.

Molecular Properties

Compound Name4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-3H-pyrido[2,3-d]pyrimidine-2,7-dione
PubChem CID59639560
Molecular FormulaC20H13F2N3O2
Molecular Weight365.34 g/mol
Exact Mass365.10
IUPAC Name4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-3H-pyrido[2,3-d]pyrimidine-2,7-dione
SMILESCc1cc(F)ccc1-c1[nH]c(=O)nc2c1ccc(=O)n2-c1ccccc1F
InChIInChI=1S/C20H13F2N3O2/c1-11-10-12(21)6-7-13(11)18-14-8-9-17(26)25(19(14)24-20(27)23-18)16-5-3-2-4-15(16)22/h2-10H,1H3,(H,23,24,27)
InChIKeyTYBZPCADKYACIB-UHFFFAOYSA-N
XLogP3.33
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-3H-pyrido[2,3-d]pyrimidine-2,7-dione?
The IUPAC name of 4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-3H-pyrido[2,3-d]pyrimidine-2,7-dione (CID 59639560) is 4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-3H-pyrido[2,3-d]pyrimidine-2,7-dione.
What is the SMILES notation for 4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-3H-pyrido[2,3-d]pyrimidine-2,7-dione?
The canonical SMILES for 4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-3H-pyrido[2,3-d]pyrimidine-2,7-dione is Cc1cc(F)ccc1-c1[nH]c(=O)nc2c1ccc(=O)n2-c1ccccc1F.
What is the InChIKey of 4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-3H-pyrido[2,3-d]pyrimidine-2,7-dione?
The InChIKey is TYBZPCADKYACIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O2/c1-11-10-12(21)6-7-13(11)18-14-8-9-17(26)25(19(14)24-20(27)23-18)16-5-3-2-4-15(16)22/h2-10H,1H3,(H,23,24,27).
What are the key properties of 4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-3H-pyrido[2,3-d]pyrimidine-2,7-dione?
4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-3H-pyrido[2,3-d]pyrimidine-2,7-dione has a molecular weight of 365.34 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-3H-pyrido[2,3-d]pyrimidine-2,7-dione is sourced from PubChem (CID 59639560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).