3-hydroxy-9-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid

C13H13N3O5 — CID 91382106

IUPAC3-hydroxy-9-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nc2c(N3CCOCC3)cccn2c(=O)c1O
InChIInChI=1S/C13H13N3O5/c17-10-9(13(19)20)14-11-8(15-4-6-21-7-5-15)2-1-3-16(11)12(10)18/h1-3,17H,4-7H2,(H,19,20)
InChIKeyAQHBUUUCBSQOBW-UHFFFAOYSA-N
MW291.26 g/mol
LogP-0.07
Rot. Bonds2

About 3-hydroxy-9-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid

3-hydroxy-9-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 91382106) has the molecular formula C13H13N3O5 and a molecular weight of 291.26 g/mol. Its IUPAC name is 3-hydroxy-9-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-9-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID91382106
Molecular FormulaC13H13N3O5
Molecular Weight291.26 g/mol
Exact Mass291.09
IUPAC Name3-hydroxy-9-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nc2c(N3CCOCC3)cccn2c(=O)c1O
InChIInChI=1S/C13H13N3O5/c17-10-9(13(19)20)14-11-8(15-4-6-21-7-5-15)2-1-3-16(11)12(10)18/h1-3,17H,4-7H2,(H,19,20)
InChIKeyAQHBUUUCBSQOBW-UHFFFAOYSA-N
XLogP-0.07
TPSA104.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-9-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 3-hydroxy-9-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid (CID 91382106) is 3-hydroxy-9-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-9-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-9-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid is O=C(O)c1nc2c(N3CCOCC3)cccn2c(=O)c1O.
What is the InChIKey of 3-hydroxy-9-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is AQHBUUUCBSQOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O5/c17-10-9(13(19)20)14-11-8(15-4-6-21-7-5-15)2-1-3-16(11)12(10)18/h1-3,17H,4-7H2,(H,19,20).
What are the key properties of 3-hydroxy-9-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid?
3-hydroxy-9-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 291.26 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-9-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 91382106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).