6-(4-fluorophenyl)-2-(4-methoxyanilino)-3,8-dihydropyrido[2,3-d]pyrimidine-4,7-dione

C20H15FN4O3 — CID 137010092

IUPAC6-(4-fluorophenyl)-2-(4-methoxyanilino)-3,8-dihydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCOc1ccc(Nc2nc3[nH]c(=O)c(-c4ccc(F)cc4)cc3c(=O)[nH]2)cc1
InChIInChI=1S/C20H15FN4O3/c1-28-14-8-6-13(7-9-14)22-20-24-17-16(19(27)25-20)10-15(18(26)23-17)11-2-4-12(21)5-3-11/h2-10H,1H3,(H3,22,23,24,25,26,27)
InChIKeyYRDZLODXQODPHF-UHFFFAOYSA-N
MW378.36 g/mol
LogP3.17
Rot. Bonds4

About 6-(4-fluorophenyl)-2-(4-methoxyanilino)-3,8-dihydropyrido[2,3-d]pyrimidine-4,7-dione

6-(4-fluorophenyl)-2-(4-methoxyanilino)-3,8-dihydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 137010092) has the molecular formula C20H15FN4O3 and a molecular weight of 378.36 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-(4-methoxyanilino)-3,8-dihydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-(4-methoxyanilino)-3,8-dihydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID137010092
Molecular FormulaC20H15FN4O3
Molecular Weight378.36 g/mol
Exact Mass378.11
IUPAC Name6-(4-fluorophenyl)-2-(4-methoxyanilino)-3,8-dihydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCOc1ccc(Nc2nc3[nH]c(=O)c(-c4ccc(F)cc4)cc3c(=O)[nH]2)cc1
InChIInChI=1S/C20H15FN4O3/c1-28-14-8-6-13(7-9-14)22-20-24-17-16(19(27)25-20)10-15(18(26)23-17)11-2-4-12(21)5-3-11/h2-10H,1H3,(H3,22,23,24,25,26,27)
InChIKeyYRDZLODXQODPHF-UHFFFAOYSA-N
XLogP3.17
TPSA99.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-(4-methoxyanilino)-3,8-dihydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 6-(4-fluorophenyl)-2-(4-methoxyanilino)-3,8-dihydropyrido[2,3-d]pyrimidine-4,7-dione (CID 137010092) is 6-(4-fluorophenyl)-2-(4-methoxyanilino)-3,8-dihydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 6-(4-fluorophenyl)-2-(4-methoxyanilino)-3,8-dihydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 6-(4-fluorophenyl)-2-(4-methoxyanilino)-3,8-dihydropyrido[2,3-d]pyrimidine-4,7-dione is COc1ccc(Nc2nc3[nH]c(=O)c(-c4ccc(F)cc4)cc3c(=O)[nH]2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-2-(4-methoxyanilino)-3,8-dihydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is YRDZLODXQODPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O3/c1-28-14-8-6-13(7-9-14)22-20-24-17-16(19(27)25-20)10-15(18(26)23-17)11-2-4-12(21)5-3-11/h2-10H,1H3,(H3,22,23,24,25,26,27).
What are the key properties of 6-(4-fluorophenyl)-2-(4-methoxyanilino)-3,8-dihydropyrido[2,3-d]pyrimidine-4,7-dione?
6-(4-fluorophenyl)-2-(4-methoxyanilino)-3,8-dihydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 378.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-(4-methoxyanilino)-3,8-dihydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 137010092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).