4-(3,5-dimethylphenyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine

C21H16FN3 — CID 24966357

IUPAC4-(3,5-dimethylphenyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine
SMILESCc1cc(C)cc(-c2ncnc3ccc(-c4ccc(F)cc4)nc23)c1
InChIInChI=1S/C21H16FN3/c1-13-9-14(2)11-16(10-13)20-21-19(23-12-24-20)8-7-18(25-21)15-3-5-17(22)6-4-15/h3-12H,1-2H3
InChIKeyUHKIWULDFFQPFC-UHFFFAOYSA-N
MW329.38 g/mol
LogP5.11
Rot. Bonds2

About 4-(3,5-dimethylphenyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine

4-(3,5-dimethylphenyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine (PubChem CID 24966357) has the molecular formula C21H16FN3 and a molecular weight of 329.38 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine
PubChem CID24966357
Molecular FormulaC21H16FN3
Molecular Weight329.38 g/mol
Exact Mass329.13
IUPAC Name4-(3,5-dimethylphenyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine
SMILESCc1cc(C)cc(-c2ncnc3ccc(-c4ccc(F)cc4)nc23)c1
InChIInChI=1S/C21H16FN3/c1-13-9-14(2)11-16(10-13)20-21-19(23-12-24-20)8-7-18(25-21)15-3-5-17(22)6-4-15/h3-12H,1-2H3
InChIKeyUHKIWULDFFQPFC-UHFFFAOYSA-N
XLogP5.11
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.38
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine?
The IUPAC name of 4-(3,5-dimethylphenyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine (CID 24966357) is 4-(3,5-dimethylphenyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine?
The canonical SMILES for 4-(3,5-dimethylphenyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine is Cc1cc(C)cc(-c2ncnc3ccc(-c4ccc(F)cc4)nc23)c1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine?
The InChIKey is UHKIWULDFFQPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3/c1-13-9-14(2)11-16(10-13)20-21-19(23-12-24-20)8-7-18(25-21)15-3-5-17(22)6-4-15/h3-12H,1-2H3.
What are the key properties of 4-(3,5-dimethylphenyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine?
4-(3,5-dimethylphenyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine has a molecular weight of 329.38 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine is sourced from PubChem (CID 24966357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).