8-(2-methoxyethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid

C23H27N5O5 — CID 46869246

IUPAC8-(2-methoxyethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESCOCCNc1cc(C(=O)O)nc2c(-c3cccc(COC)c3)nc(N3CCOCC3)nc12
InChIInChI=1S/C23H27N5O5/c1-31-9-6-24-17-13-18(22(29)30)25-21-19(16-5-3-4-15(12-16)14-32-2)26-23(27-20(17)21)28-7-10-33-11-8-28/h3-5,12-13H,6-11,14H2,1-2H3,(H,24,25)(H,29,30)
InChIKeyNVGHIKWGCXODOS-UHFFFAOYSA-N
MW453.50 g/mol
LogP2.43
Rot. Bonds9

About 8-(2-methoxyethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid

8-(2-methoxyethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (PubChem CID 46869246) has the molecular formula C23H27N5O5 and a molecular weight of 453.50 g/mol. Its IUPAC name is 8-(2-methoxyethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name8-(2-methoxyethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
PubChem CID46869246
Molecular FormulaC23H27N5O5
Molecular Weight453.50 g/mol
Exact Mass453.20
IUPAC Name8-(2-methoxyethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESCOCCNc1cc(C(=O)O)nc2c(-c3cccc(COC)c3)nc(N3CCOCC3)nc12
InChIInChI=1S/C23H27N5O5/c1-31-9-6-24-17-13-18(22(29)30)25-21-19(16-5-3-4-15(12-16)14-32-2)26-23(27-20(17)21)28-7-10-33-11-8-28/h3-5,12-13H,6-11,14H2,1-2H3,(H,24,25)(H,29,30)
InChIKeyNVGHIKWGCXODOS-UHFFFAOYSA-N
XLogP2.43
TPSA118.93 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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-methoxyethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 8-(2-methoxyethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (CID 46869246) is 8-(2-methoxyethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 8-(2-methoxyethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 8-(2-methoxyethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is COCCNc1cc(C(=O)O)nc2c(-c3cccc(COC)c3)nc(N3CCOCC3)nc12.
What is the InChIKey of 8-(2-methoxyethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The InChIKey is NVGHIKWGCXODOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O5/c1-31-9-6-24-17-13-18(22(29)30)25-21-19(16-5-3-4-15(12-16)14-32-2)26-23(27-20(17)21)28-7-10-33-11-8-28/h3-5,12-13H,6-11,14H2,1-2H3,(H,24,25)(H,29,30).
What are the key properties of 8-(2-methoxyethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
8-(2-methoxyethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid has a molecular weight of 453.50 g/mol, XLogP of 2.43, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 46869246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).