2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

C17H19N5O2 — CID 52949940

IUPAC2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3c(C)nc(N)nc3n(C(C)C)c2=O)cn1
InChIInChI=1S/C17H19N5O2/c1-9(2)22-15-12(10(3)20-17(18)21-15)7-13(16(22)23)11-5-6-14(24-4)19-8-11/h5-9H,1-4H3,(H2,18,20,21)
InChIKeyMLPHIXLIZYLZRW-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.33
Rot. Bonds3

About 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 52949940) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID52949940
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3c(C)nc(N)nc3n(C(C)C)c2=O)cn1
InChIInChI=1S/C17H19N5O2/c1-9(2)22-15-12(10(3)20-17(18)21-15)7-13(16(22)23)11-5-6-14(24-4)19-8-11/h5-9H,1-4H3,(H2,18,20,21)
InChIKeyMLPHIXLIZYLZRW-UHFFFAOYSA-N
XLogP2.33
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpyrido[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 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 52949940) is 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is COc1ccc(-c2cc3c(C)nc(N)nc3n(C(C)C)c2=O)cn1.
What is the InChIKey of 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is MLPHIXLIZYLZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-9(2)22-15-12(10(3)20-17(18)21-15)7-13(16(22)23)11-5-6-14(24-4)19-8-11/h5-9H,1-4H3,(H2,18,20,21).
What are the key properties of 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 325.37 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 52949940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).