6-benzyl-7-(6-morpholin-2-yl-3-pyridinyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine

C29H26N6O — CID 70295347

IUPAC6-benzyl-7-(6-morpholin-2-yl-3-pyridinyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3ccc(C4CNCCO4)nc3)c(Cc3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C29H26N6O/c30-28-26-25(20-9-5-2-6-10-20)22(15-19-7-3-1-4-8-19)27(35-29(26)34-18-33-28)21-11-12-23(32-16-21)24-17-31-13-14-36-24/h1-12,16,18,24,31H,13-15,17H2,(H2,30,33,34,35)
InChIKeyJNHZTSHRKFXNEX-UHFFFAOYSA-N
MW474.57 g/mol
LogP4.59
Rot. Bonds5

About 6-benzyl-7-(6-morpholin-2-yl-3-pyridinyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine

6-benzyl-7-(6-morpholin-2-yl-3-pyridinyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 70295347) has the molecular formula C29H26N6O and a molecular weight of 474.57 g/mol. Its IUPAC name is 6-benzyl-7-(6-morpholin-2-yl-3-pyridinyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-benzyl-7-(6-morpholin-2-yl-3-pyridinyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID70295347
Molecular FormulaC29H26N6O
Molecular Weight474.57 g/mol
Exact Mass474.22
IUPAC Name6-benzyl-7-(6-morpholin-2-yl-3-pyridinyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3ccc(C4CNCCO4)nc3)c(Cc3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C29H26N6O/c30-28-26-25(20-9-5-2-6-10-20)22(15-19-7-3-1-4-8-19)27(35-29(26)34-18-33-28)21-11-12-23(32-16-21)24-17-31-13-14-36-24/h1-12,16,18,24,31H,13-15,17H2,(H2,30,33,34,35)
InChIKeyJNHZTSHRKFXNEX-UHFFFAOYSA-N
XLogP4.59
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-7-(6-morpholin-2-yl-3-pyridinyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-benzyl-7-(6-morpholin-2-yl-3-pyridinyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine (CID 70295347) is 6-benzyl-7-(6-morpholin-2-yl-3-pyridinyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-benzyl-7-(6-morpholin-2-yl-3-pyridinyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-benzyl-7-(6-morpholin-2-yl-3-pyridinyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine is Nc1ncnc2nc(-c3ccc(C4CNCCO4)nc3)c(Cc3ccccc3)c(-c3ccccc3)c12.
What is the InChIKey of 6-benzyl-7-(6-morpholin-2-yl-3-pyridinyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is JNHZTSHRKFXNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O/c30-28-26-25(20-9-5-2-6-10-20)22(15-19-7-3-1-4-8-19)27(35-29(26)34-18-33-28)21-11-12-23(32-16-21)24-17-31-13-14-36-24/h1-12,16,18,24,31H,13-15,17H2,(H2,30,33,34,35).
What are the key properties of 6-benzyl-7-(6-morpholin-2-yl-3-pyridinyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine?
6-benzyl-7-(6-morpholin-2-yl-3-pyridinyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 474.57 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-7-(6-morpholin-2-yl-3-pyridinyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 70295347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).