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

C21H23N5O5 — CID 46869512

IUPAC8-(2-hydroxyethylamino)-4-[3-(hydroxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc(NCCO)c2nc(N3CCOCC3)nc(-c3cccc(CO)c3)c2n1
InChIInChI=1S/C21H23N5O5/c27-7-4-22-15-11-16(20(29)30)23-19-17(14-3-1-2-13(10-14)12-28)24-21(25-18(15)19)26-5-8-31-9-6-26/h1-3,10-11,27-28H,4-9,12H2,(H,22,23)(H,29,30)
InChIKeyOFPBSWQQRHAZMY-UHFFFAOYSA-N
MW425.45 g/mol
LogP1.12
Rot. Bonds7

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

8-(2-hydroxyethylamino)-4-[3-(hydroxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (PubChem CID 46869512) has the molecular formula C21H23N5O5 and a molecular weight of 425.45 g/mol. Its IUPAC name is 8-(2-hydroxyethylamino)-4-[3-(hydroxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name8-(2-hydroxyethylamino)-4-[3-(hydroxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
PubChem CID46869512
Molecular FormulaC21H23N5O5
Molecular Weight425.45 g/mol
Exact Mass425.17
IUPAC Name8-(2-hydroxyethylamino)-4-[3-(hydroxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc(NCCO)c2nc(N3CCOCC3)nc(-c3cccc(CO)c3)c2n1
InChIInChI=1S/C21H23N5O5/c27-7-4-22-15-11-16(20(29)30)23-19-17(14-3-1-2-13(10-14)12-28)24-21(25-18(15)19)26-5-8-31-9-6-26/h1-3,10-11,27-28H,4-9,12H2,(H,22,23)(H,29,30)
InChIKeyOFPBSWQQRHAZMY-UHFFFAOYSA-N
XLogP1.12
TPSA140.93 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 51.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 8-(2-hydroxyethylamino)-4-[3-(hydroxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid 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-hydroxyethylamino)-4-[3-(hydroxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 8-(2-hydroxyethylamino)-4-[3-(hydroxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (CID 46869512) is 8-(2-hydroxyethylamino)-4-[3-(hydroxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 8-(2-hydroxyethylamino)-4-[3-(hydroxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 8-(2-hydroxyethylamino)-4-[3-(hydroxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is O=C(O)c1cc(NCCO)c2nc(N3CCOCC3)nc(-c3cccc(CO)c3)c2n1.
What is the InChIKey of 8-(2-hydroxyethylamino)-4-[3-(hydroxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The InChIKey is OFPBSWQQRHAZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O5/c27-7-4-22-15-11-16(20(29)30)23-19-17(14-3-1-2-13(10-14)12-28)24-21(25-18(15)19)26-5-8-31-9-6-26/h1-3,10-11,27-28H,4-9,12H2,(H,22,23)(H,29,30).
What are the key properties of 8-(2-hydroxyethylamino)-4-[3-(hydroxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
8-(2-hydroxyethylamino)-4-[3-(hydroxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid has a molecular weight of 425.45 g/mol, XLogP of 1.12, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-hydroxyethylamino)-4-[3-(hydroxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 46869512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).