4-but-1-enyl-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine

C17H14FN3 — CID 68910971

IUPAC4-but-1-enyl-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine
SMILESCCC=Cc1ncnc2ccc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C17H14FN3/c1-2-3-4-15-17-16(20-11-19-15)10-9-14(21-17)12-5-7-13(18)8-6-12/h3-11H,2H2,1H3
InChIKeyCCKXOOYFFWLXAR-UHFFFAOYSA-N
MW279.32 g/mol
LogP4.25
Rot. Bonds3

About 4-but-1-enyl-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine

4-but-1-enyl-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine (PubChem CID 68910971) has the molecular formula C17H14FN3 and a molecular weight of 279.32 g/mol. Its IUPAC name is 4-but-1-enyl-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-but-1-enyl-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine
PubChem CID68910971
Molecular FormulaC17H14FN3
Molecular Weight279.32 g/mol
Exact Mass279.12
IUPAC Name4-but-1-enyl-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine
SMILESCCC=Cc1ncnc2ccc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C17H14FN3/c1-2-3-4-15-17-16(20-11-19-15)10-9-14(21-17)12-5-7-13(18)8-6-12/h3-11H,2H2,1H3
InChIKeyCCKXOOYFFWLXAR-UHFFFAOYSA-N
XLogP4.25
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-but-1-enyl-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine?
The IUPAC name of 4-but-1-enyl-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine (CID 68910971) is 4-but-1-enyl-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine.
What is the SMILES notation for 4-but-1-enyl-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine?
The canonical SMILES for 4-but-1-enyl-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine is CCC=Cc1ncnc2ccc(-c3ccc(F)cc3)nc12.
What is the InChIKey of 4-but-1-enyl-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine?
The InChIKey is CCKXOOYFFWLXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3/c1-2-3-4-15-17-16(20-11-19-15)10-9-14(21-17)12-5-7-13(18)8-6-12/h3-11H,2H2,1H3.
What are the key properties of 4-but-1-enyl-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine?
4-but-1-enyl-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine has a molecular weight of 279.32 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-1-enyl-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidine is sourced from PubChem (CID 68910971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).