6-(4-ethenylphenyl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine

C21H16N4 — CID 68914225

IUPAC6-(4-ethenylphenyl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine
SMILESC=Cc1ccc(-c2ccc3nc(N)nc(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C21H16N4/c1-2-14-8-10-15(11-9-14)17-12-13-18-20(23-17)19(25-21(22)24-18)16-6-4-3-5-7-16/h2-13H,1H2,(H2,22,24,25)
InChIKeyLWMPBVFLPDYRIB-UHFFFAOYSA-N
MW324.39 g/mol
LogP4.58
Rot. Bonds3

About 6-(4-ethenylphenyl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine

6-(4-ethenylphenyl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine (PubChem CID 68914225) has the molecular formula C21H16N4 and a molecular weight of 324.39 g/mol. Its IUPAC name is 6-(4-ethenylphenyl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-(4-ethenylphenyl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine
PubChem CID68914225
Molecular FormulaC21H16N4
Molecular Weight324.39 g/mol
Exact Mass324.14
IUPAC Name6-(4-ethenylphenyl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine
SMILESC=Cc1ccc(-c2ccc3nc(N)nc(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C21H16N4/c1-2-14-8-10-15(11-9-14)17-12-13-18-20(23-17)19(25-21(22)24-18)16-6-4-3-5-7-16/h2-13H,1H2,(H2,22,24,25)
InChIKeyLWMPBVFLPDYRIB-UHFFFAOYSA-N
XLogP4.58
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethenylphenyl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 6-(4-ethenylphenyl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine (CID 68914225) is 6-(4-ethenylphenyl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 6-(4-ethenylphenyl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 6-(4-ethenylphenyl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine is C=Cc1ccc(-c2ccc3nc(N)nc(-c4ccccc4)c3n2)cc1.
What is the InChIKey of 6-(4-ethenylphenyl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is LWMPBVFLPDYRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4/c1-2-14-8-10-15(11-9-14)17-12-13-18-20(23-17)19(25-21(22)24-18)16-6-4-3-5-7-16/h2-13H,1H2,(H2,22,24,25).
What are the key properties of 6-(4-ethenylphenyl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine?
6-(4-ethenylphenyl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 324.39 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethenylphenyl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 68914225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).