8-[2-(2-aminoethoxy)ethyl]-2-(methylamino)-6-[2-methyl-4-(6-methyl-2-pyridinyl)phenyl]pyrido[2,3-d]pyrimidin-7-one

C25H28N6O2 — CID 90467492

IUPAC8-[2-(2-aminoethoxy)ethyl]-2-(methylamino)-6-[2-methyl-4-(6-methyl-2-pyridinyl)phenyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3C)c(=O)n(CCOCCN)c2n1
InChIInChI=1S/C25H28N6O2/c1-16-13-18(22-6-4-5-17(2)29-22)7-8-20(16)21-14-19-15-28-25(27-3)30-23(19)31(24(21)32)10-12-33-11-9-26/h4-8,13-15H,9-12,26H2,1-3H3,(H,27,28,30)
InChIKeyZDZPVGLKTOIWMC-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.15
Rot. Bonds8

About 8-[2-(2-aminoethoxy)ethyl]-2-(methylamino)-6-[2-methyl-4-(6-methyl-2-pyridinyl)phenyl]pyrido[2,3-d]pyrimidin-7-one

8-[2-(2-aminoethoxy)ethyl]-2-(methylamino)-6-[2-methyl-4-(6-methyl-2-pyridinyl)phenyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 90467492) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 8-[2-(2-aminoethoxy)ethyl]-2-(methylamino)-6-[2-methyl-4-(6-methyl-2-pyridinyl)phenyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[2-(2-aminoethoxy)ethyl]-2-(methylamino)-6-[2-methyl-4-(6-methyl-2-pyridinyl)phenyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID90467492
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name8-[2-(2-aminoethoxy)ethyl]-2-(methylamino)-6-[2-methyl-4-(6-methyl-2-pyridinyl)phenyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3C)c(=O)n(CCOCCN)c2n1
InChIInChI=1S/C25H28N6O2/c1-16-13-18(22-6-4-5-17(2)29-22)7-8-20(16)21-14-19-15-28-25(27-3)30-23(19)31(24(21)32)10-12-33-11-9-26/h4-8,13-15H,9-12,26H2,1-3H3,(H,27,28,30)
InChIKeyZDZPVGLKTOIWMC-UHFFFAOYSA-N
XLogP3.15
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(2-aminoethoxy)ethyl]-2-(methylamino)-6-[2-methyl-4-(6-methyl-2-pyridinyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[2-(2-aminoethoxy)ethyl]-2-(methylamino)-6-[2-methyl-4-(6-methyl-2-pyridinyl)phenyl]pyrido[2,3-d]pyrimidin-7-one (CID 90467492) is 8-[2-(2-aminoethoxy)ethyl]-2-(methylamino)-6-[2-methyl-4-(6-methyl-2-pyridinyl)phenyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[2-(2-aminoethoxy)ethyl]-2-(methylamino)-6-[2-methyl-4-(6-methyl-2-pyridinyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[2-(2-aminoethoxy)ethyl]-2-(methylamino)-6-[2-methyl-4-(6-methyl-2-pyridinyl)phenyl]pyrido[2,3-d]pyrimidin-7-one is CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3C)c(=O)n(CCOCCN)c2n1.
What is the InChIKey of 8-[2-(2-aminoethoxy)ethyl]-2-(methylamino)-6-[2-methyl-4-(6-methyl-2-pyridinyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ZDZPVGLKTOIWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-16-13-18(22-6-4-5-17(2)29-22)7-8-20(16)21-14-19-15-28-25(27-3)30-23(19)31(24(21)32)10-12-33-11-9-26/h4-8,13-15H,9-12,26H2,1-3H3,(H,27,28,30).
What are the key properties of 8-[2-(2-aminoethoxy)ethyl]-2-(methylamino)-6-[2-methyl-4-(6-methyl-2-pyridinyl)phenyl]pyrido[2,3-d]pyrimidin-7-one?
8-[2-(2-aminoethoxy)ethyl]-2-(methylamino)-6-[2-methyl-4-(6-methyl-2-pyridinyl)phenyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 444.54 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2-aminoethoxy)ethyl]-2-(methylamino)-6-[2-methyl-4-(6-methyl-2-pyridinyl)phenyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 90467492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).