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

C22H25N5O5 — CID 46869303

IUPAC8-(2-hydroxyethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESCOCc1cccc(-c2nc(N3CCOCC3)nc3c(NCCO)cc(C(=O)O)nc23)c1
InChIInChI=1S/C22H25N5O5/c1-31-13-14-3-2-4-15(11-14)18-20-19(26-22(25-18)27-6-9-32-10-7-27)16(23-5-8-28)12-17(24-20)21(29)30/h2-4,11-12,28H,5-10,13H2,1H3,(H,23,24)(H,29,30)
InChIKeyUTKYWDFDQIZSFU-UHFFFAOYSA-N
MW439.47 g/mol
LogP1.78
Rot. Bonds8

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

8-(2-hydroxyethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (PubChem CID 46869303) has the molecular formula C22H25N5O5 and a molecular weight of 439.47 g/mol. Its IUPAC name is 8-(2-hydroxyethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name8-(2-hydroxyethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
PubChem CID46869303
Molecular FormulaC22H25N5O5
Molecular Weight439.47 g/mol
Exact Mass439.19
IUPAC Name8-(2-hydroxyethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESCOCc1cccc(-c2nc(N3CCOCC3)nc3c(NCCO)cc(C(=O)O)nc23)c1
InChIInChI=1S/C22H25N5O5/c1-31-13-14-3-2-4-15(11-14)18-20-19(26-22(25-18)27-6-9-32-10-7-27)16(23-5-8-28)12-17(24-20)21(29)30/h2-4,11-12,28H,5-10,13H2,1H3,(H,23,24)(H,29,30)
InChIKeyUTKYWDFDQIZSFU-UHFFFAOYSA-N
XLogP1.78
TPSA129.93 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-(2-hydroxyethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 8-(2-hydroxyethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (CID 46869303) is 8-(2-hydroxyethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 8-(2-hydroxyethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 8-(2-hydroxyethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is COCc1cccc(-c2nc(N3CCOCC3)nc3c(NCCO)cc(C(=O)O)nc23)c1.
What is the InChIKey of 8-(2-hydroxyethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The InChIKey is UTKYWDFDQIZSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O5/c1-31-13-14-3-2-4-15(11-14)18-20-19(26-22(25-18)27-6-9-32-10-7-27)16(23-5-8-28)12-17(24-20)21(29)30/h2-4,11-12,28H,5-10,13H2,1H3,(H,23,24)(H,29,30).
What are the key properties of 8-(2-hydroxyethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
8-(2-hydroxyethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid has a molecular weight of 439.47 g/mol, XLogP of 1.78, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-hydroxyethylamino)-4-[3-(methoxymethyl)phenyl]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 46869303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).