8-(2-aminoethyl)-6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one

C17H20N6O2 — CID 59258842

IUPAC8-(2-aminoethyl)-6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1nc(C)c2cc(-c3ccc(OC)nc3)c(=O)n(CCN)c2n1
InChIInChI=1S/C17H20N6O2/c1-10-12-8-13(11-4-5-14(25-3)20-9-11)16(24)23(7-6-18)15(12)22-17(19-2)21-10/h4-5,8-9H,6-7,18H2,1-3H3,(H,19,21,22)
InChIKeyWXZLACDUBLZWMX-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.17
Rot. Bonds5

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

8-(2-aminoethyl)-6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 59258842) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 8-(2-aminoethyl)-6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(2-aminoethyl)-6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID59258842
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name8-(2-aminoethyl)-6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1nc(C)c2cc(-c3ccc(OC)nc3)c(=O)n(CCN)c2n1
InChIInChI=1S/C17H20N6O2/c1-10-12-8-13(11-4-5-14(25-3)20-9-11)16(24)23(7-6-18)15(12)22-17(19-2)21-10/h4-5,8-9H,6-7,18H2,1-3H3,(H,19,21,22)
InChIKeyWXZLACDUBLZWMX-UHFFFAOYSA-N
XLogP1.17
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-(2-aminoethyl)-6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(2-aminoethyl)-6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(2-aminoethyl)-6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one (CID 59258842) is 8-(2-aminoethyl)-6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(2-aminoethyl)-6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(2-aminoethyl)-6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one is CNc1nc(C)c2cc(-c3ccc(OC)nc3)c(=O)n(CCN)c2n1.
What is the InChIKey of 8-(2-aminoethyl)-6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is WXZLACDUBLZWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-10-12-8-13(11-4-5-14(25-3)20-9-11)16(24)23(7-6-18)15(12)22-17(19-2)21-10/h4-5,8-9H,6-7,18H2,1-3H3,(H,19,21,22).
What are the key properties of 8-(2-aminoethyl)-6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
8-(2-aminoethyl)-6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 340.39 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminoethyl)-6-(6-methoxy-3-pyridinyl)-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59258842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).