4-(3-fluoro-5-hydroxyphenyl)-8-(2-hydroxyethylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid

C20H20FN5O5 — CID 46869165

IUPAC4-(3-fluoro-5-hydroxyphenyl)-8-(2-hydroxyethylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc(NCCO)c2nc(N3CCOCC3)nc(-c3cc(O)cc(F)c3)c2n1
InChIInChI=1S/C20H20FN5O5/c21-12-7-11(8-13(28)9-12)16-18-17(25-20(24-16)26-2-5-31-6-3-26)14(22-1-4-27)10-15(23-18)19(29)30/h7-10,27-28H,1-6H2,(H,22,23)(H,29,30)
InChIKeyCPUVSFXSWJQWSH-UHFFFAOYSA-N
MW429.41 g/mol
LogP1.48
Rot. Bonds6

About 4-(3-fluoro-5-hydroxyphenyl)-8-(2-hydroxyethylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid

4-(3-fluoro-5-hydroxyphenyl)-8-(2-hydroxyethylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (PubChem CID 46869165) has the molecular formula C20H20FN5O5 and a molecular weight of 429.41 g/mol. Its IUPAC name is 4-(3-fluoro-5-hydroxyphenyl)-8-(2-hydroxyethylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-(3-fluoro-5-hydroxyphenyl)-8-(2-hydroxyethylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
PubChem CID46869165
Molecular FormulaC20H20FN5O5
Molecular Weight429.41 g/mol
Exact Mass429.14
IUPAC Name4-(3-fluoro-5-hydroxyphenyl)-8-(2-hydroxyethylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cc(NCCO)c2nc(N3CCOCC3)nc(-c3cc(O)cc(F)c3)c2n1
InChIInChI=1S/C20H20FN5O5/c21-12-7-11(8-13(28)9-12)16-18-17(25-20(24-16)26-2-5-31-6-3-26)14(22-1-4-27)10-15(23-18)19(29)30/h7-10,27-28H,1-6H2,(H,22,23)(H,29,30)
InChIKeyCPUVSFXSWJQWSH-UHFFFAOYSA-N
XLogP1.48
TPSA140.93 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.41
LogP ≤ 51.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-5-hydroxyphenyl)-8-(2-hydroxyethylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-(3-fluoro-5-hydroxyphenyl)-8-(2-hydroxyethylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (CID 46869165) is 4-(3-fluoro-5-hydroxyphenyl)-8-(2-hydroxyethylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-(3-fluoro-5-hydroxyphenyl)-8-(2-hydroxyethylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-(3-fluoro-5-hydroxyphenyl)-8-(2-hydroxyethylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is O=C(O)c1cc(NCCO)c2nc(N3CCOCC3)nc(-c3cc(O)cc(F)c3)c2n1.
What is the InChIKey of 4-(3-fluoro-5-hydroxyphenyl)-8-(2-hydroxyethylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The InChIKey is CPUVSFXSWJQWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O5/c21-12-7-11(8-13(28)9-12)16-18-17(25-20(24-16)26-2-5-31-6-3-26)14(22-1-4-27)10-15(23-18)19(29)30/h7-10,27-28H,1-6H2,(H,22,23)(H,29,30).
What are the key properties of 4-(3-fluoro-5-hydroxyphenyl)-8-(2-hydroxyethylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
4-(3-fluoro-5-hydroxyphenyl)-8-(2-hydroxyethylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid has a molecular weight of 429.41 g/mol, XLogP of 1.48, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-5-hydroxyphenyl)-8-(2-hydroxyethylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 46869165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).