2-phenyl-N-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine

C18H13N5 — CID 11771006

IUPAC2-phenyl-N-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
SMILESc1ccc(-c2nc(Nc3ccncc3)c3ccncc3n2)cc1
InChIInChI=1S/C18H13N5/c1-2-4-13(5-3-1)17-22-16-12-20-11-8-15(16)18(23-17)21-14-6-9-19-10-7-14/h1-12H,(H,19,21,22,23)
InChIKeyYPIDOTLSANQZEK-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.83
Rot. Bonds3

About 2-phenyl-N-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine

2-phenyl-N-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine (PubChem CID 11771006) has the molecular formula C18H13N5 and a molecular weight of 299.34 g/mol. Its IUPAC name is 2-phenyl-N-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-phenyl-N-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
PubChem CID11771006
Molecular FormulaC18H13N5
Molecular Weight299.34 g/mol
Exact Mass299.12
IUPAC Name2-phenyl-N-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
SMILESc1ccc(-c2nc(Nc3ccncc3)c3ccncc3n2)cc1
InChIInChI=1S/C18H13N5/c1-2-4-13(5-3-1)17-22-16-12-20-11-8-15(16)18(23-17)21-14-6-9-19-10-7-14/h1-12H,(H,19,21,22,23)
InChIKeyYPIDOTLSANQZEK-UHFFFAOYSA-N
XLogP3.83
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-phenyl-N-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine (CID 11771006) is 2-phenyl-N-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-phenyl-N-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-phenyl-N-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine is c1ccc(-c2nc(Nc3ccncc3)c3ccncc3n2)cc1.
What is the InChIKey of 2-phenyl-N-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is YPIDOTLSANQZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5/c1-2-4-13(5-3-1)17-22-16-12-20-11-8-15(16)18(23-17)21-14-6-9-19-10-7-14/h1-12H,(H,19,21,22,23).
What are the key properties of 2-phenyl-N-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
2-phenyl-N-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 299.34 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11771006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).