3-(4-amino-2,6-diphenylpyrimidin-5-yl)-2-pyridin-4-ylpropanoic acid

C24H20N4O2 — CID 69182920

IUPAC3-(4-amino-2,6-diphenylpyrimidin-5-yl)-2-pyridin-4-ylpropanoic acid
SMILESNc1nc(-c2ccccc2)nc(-c2ccccc2)c1CC(C(=O)O)c1ccncc1
InChIInChI=1S/C24H20N4O2/c25-22-20(15-19(24(29)30)16-11-13-26-14-12-16)21(17-7-3-1-4-8-17)27-23(28-22)18-9-5-2-6-10-18/h1-14,19H,15H2,(H,29,30)(H2,25,27,28)
InChIKeyWSMAVEXPCFIJBO-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.20
Rot. Bonds6

About 3-(4-amino-2,6-diphenylpyrimidin-5-yl)-2-pyridin-4-ylpropanoic acid

3-(4-amino-2,6-diphenylpyrimidin-5-yl)-2-pyridin-4-ylpropanoic acid (PubChem CID 69182920) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 3-(4-amino-2,6-diphenylpyrimidin-5-yl)-2-pyridin-4-ylpropanoic acid.

Molecular Properties

Compound Name3-(4-amino-2,6-diphenylpyrimidin-5-yl)-2-pyridin-4-ylpropanoic acid
PubChem CID69182920
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name3-(4-amino-2,6-diphenylpyrimidin-5-yl)-2-pyridin-4-ylpropanoic acid
SMILESNc1nc(-c2ccccc2)nc(-c2ccccc2)c1CC(C(=O)O)c1ccncc1
InChIInChI=1S/C24H20N4O2/c25-22-20(15-19(24(29)30)16-11-13-26-14-12-16)21(17-7-3-1-4-8-17)27-23(28-22)18-9-5-2-6-10-18/h1-14,19H,15H2,(H,29,30)(H2,25,27,28)
InChIKeyWSMAVEXPCFIJBO-UHFFFAOYSA-N
XLogP4.20
TPSA101.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2,6-diphenylpyrimidin-5-yl)-2-pyridin-4-ylpropanoic acid?
The IUPAC name of 3-(4-amino-2,6-diphenylpyrimidin-5-yl)-2-pyridin-4-ylpropanoic acid (CID 69182920) is 3-(4-amino-2,6-diphenylpyrimidin-5-yl)-2-pyridin-4-ylpropanoic acid.
What is the SMILES notation for 3-(4-amino-2,6-diphenylpyrimidin-5-yl)-2-pyridin-4-ylpropanoic acid?
The canonical SMILES for 3-(4-amino-2,6-diphenylpyrimidin-5-yl)-2-pyridin-4-ylpropanoic acid is Nc1nc(-c2ccccc2)nc(-c2ccccc2)c1CC(C(=O)O)c1ccncc1.
What is the InChIKey of 3-(4-amino-2,6-diphenylpyrimidin-5-yl)-2-pyridin-4-ylpropanoic acid?
The InChIKey is WSMAVEXPCFIJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c25-22-20(15-19(24(29)30)16-11-13-26-14-12-16)21(17-7-3-1-4-8-17)27-23(28-22)18-9-5-2-6-10-18/h1-14,19H,15H2,(H,29,30)(H2,25,27,28).
What are the key properties of 3-(4-amino-2,6-diphenylpyrimidin-5-yl)-2-pyridin-4-ylpropanoic acid?
3-(4-amino-2,6-diphenylpyrimidin-5-yl)-2-pyridin-4-ylpropanoic acid has a molecular weight of 396.45 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2,6-diphenylpyrimidin-5-yl)-2-pyridin-4-ylpropanoic acid is sourced from PubChem (CID 69182920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).