7-(4-methoxyphenyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine

C20H16N4O — CID 2817025

IUPAC7-(4-methoxyphenyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2cc(-c3ccccc3)c3c(N)ncnc3n2)cc1
InChIInChI=1S/C20H16N4O/c1-25-15-9-7-14(8-10-15)17-11-16(13-5-3-2-4-6-13)18-19(21)22-12-23-20(18)24-17/h2-12H,1H3,(H2,21,22,23,24)
InChIKeySBVNGLCANDMQEQ-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.95
Rot. Bonds3

About 7-(4-methoxyphenyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine

7-(4-methoxyphenyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 2817025) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID2817025
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name7-(4-methoxyphenyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2cc(-c3ccccc3)c3c(N)ncnc3n2)cc1
InChIInChI=1S/C20H16N4O/c1-25-15-9-7-14(8-10-15)17-11-16(13-5-3-2-4-6-13)18-19(21)22-12-23-20(18)24-17/h2-12H,1H3,(H2,21,22,23,24)
InChIKeySBVNGLCANDMQEQ-UHFFFAOYSA-N
XLogP3.95
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(4-methoxyphenyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine (CID 2817025) is 7-(4-methoxyphenyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(4-methoxyphenyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(4-methoxyphenyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine is COc1ccc(-c2cc(-c3ccccc3)c3c(N)ncnc3n2)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is SBVNGLCANDMQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-25-15-9-7-14(8-10-15)17-11-16(13-5-3-2-4-6-13)18-19(21)22-12-23-20(18)24-17/h2-12H,1H3,(H2,21,22,23,24).
What are the key properties of 7-(4-methoxyphenyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine?
7-(4-methoxyphenyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 328.38 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2817025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).