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

C21H16FN3 — CID 24966707

IUPAC4-(3,4-dimethylphenyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine
SMILESCc1ccc(-c2ncnc3ccc(-c4ccc(F)cc4)nc23)cc1C
InChIInChI=1S/C21H16FN3/c1-13-3-4-16(11-14(13)2)20-21-19(23-12-24-20)10-9-18(25-21)15-5-7-17(22)8-6-15/h3-12H,1-2H3
InChIKeyADWGKHPXWOSZSU-UHFFFAOYSA-N
MW329.38 g/mol
LogP5.11
Rot. Bonds2

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

4-(3,4-dimethylphenyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine (PubChem CID 24966707) has the molecular formula C21H16FN3 and a molecular weight of 329.38 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine
PubChem CID24966707
Molecular FormulaC21H16FN3
Molecular Weight329.38 g/mol
Exact Mass329.13
IUPAC Name4-(3,4-dimethylphenyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine
SMILESCc1ccc(-c2ncnc3ccc(-c4ccc(F)cc4)nc23)cc1C
InChIInChI=1S/C21H16FN3/c1-13-3-4-16(11-14(13)2)20-21-19(23-12-24-20)10-9-18(25-21)15-5-7-17(22)8-6-15/h3-12H,1-2H3
InChIKeyADWGKHPXWOSZSU-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-(3,4-dimethylphenyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine?
The IUPAC name of 4-(3,4-dimethylphenyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine (CID 24966707) is 4-(3,4-dimethylphenyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine?
The canonical SMILES for 4-(3,4-dimethylphenyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine is Cc1ccc(-c2ncnc3ccc(-c4ccc(F)cc4)nc23)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine?
The InChIKey is ADWGKHPXWOSZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3/c1-13-3-4-16(11-14(13)2)20-21-19(23-12-24-20)10-9-18(25-21)15-5-7-17(22)8-6-15/h3-12H,1-2H3.
What are the key properties of 4-(3,4-dimethylphenyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine?
4-(3,4-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-(3,4-dimethylphenyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine is sourced from PubChem (CID 24966707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).