1-(3-benzylphenyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione

C20H14FN3O2 — CID 141214765

IUPAC1-(3-benzylphenyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2cccc(Cc3ccccc3)c2)c2ncc(F)cc12
InChIInChI=1S/C20H14FN3O2/c21-15-11-17-18(22-12-15)24(20(26)23-19(17)25)16-8-4-7-14(10-16)9-13-5-2-1-3-6-13/h1-8,10-12H,9H2,(H,23,25,26)
InChIKeyJQFNRQVCWFTNIK-UHFFFAOYSA-N
MW347.35 g/mol
LogP2.80
Rot. Bonds3

About 1-(3-benzylphenyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione

1-(3-benzylphenyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 141214765) has the molecular formula C20H14FN3O2 and a molecular weight of 347.35 g/mol. Its IUPAC name is 1-(3-benzylphenyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3-benzylphenyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID141214765
Molecular FormulaC20H14FN3O2
Molecular Weight347.35 g/mol
Exact Mass347.11
IUPAC Name1-(3-benzylphenyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2cccc(Cc3ccccc3)c2)c2ncc(F)cc12
InChIInChI=1S/C20H14FN3O2/c21-15-11-17-18(22-12-15)24(20(26)23-19(17)25)16-8-4-7-14(10-16)9-13-5-2-1-3-6-13/h1-8,10-12H,9H2,(H,23,25,26)
InChIKeyJQFNRQVCWFTNIK-UHFFFAOYSA-N
XLogP2.80
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-benzylphenyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-(3-benzylphenyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione (CID 141214765) is 1-(3-benzylphenyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(3-benzylphenyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-(3-benzylphenyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2cccc(Cc3ccccc3)c2)c2ncc(F)cc12.
What is the InChIKey of 1-(3-benzylphenyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is JQFNRQVCWFTNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2/c21-15-11-17-18(22-12-15)24(20(26)23-19(17)25)16-8-4-7-14(10-16)9-13-5-2-1-3-6-13/h1-8,10-12H,9H2,(H,23,25,26).
What are the key properties of 1-(3-benzylphenyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione?
1-(3-benzylphenyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 347.35 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzylphenyl)-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 141214765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).