2-morpholin-4-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylic acid

C12H14N4O5 — CID 135645581

IUPAC2-morpholin-4-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylic acid
SMILESO=C1CC(C(=O)O)c2c(nc(N3CCOCC3)[nH]c2=O)N1
InChIInChI=1S/C12H14N4O5/c17-7-5-6(11(19)20)8-9(13-7)14-12(15-10(8)18)16-1-3-21-4-2-16/h6H,1-5H2,(H,19,20)(H2,13,14,15,17,18)
InChIKeyIJOVGHIIMNSTDU-UHFFFAOYSA-N
MW294.27 g/mol
LogP-0.88
Rot. Bonds2

About 2-morpholin-4-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylic acid

2-morpholin-4-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylic acid (PubChem CID 135645581) has the molecular formula C12H14N4O5 and a molecular weight of 294.27 g/mol. Its IUPAC name is 2-morpholin-4-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-morpholin-4-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylic acid
PubChem CID135645581
Molecular FormulaC12H14N4O5
Molecular Weight294.27 g/mol
Exact Mass294.10
IUPAC Name2-morpholin-4-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylic acid
SMILESO=C1CC(C(=O)O)c2c(nc(N3CCOCC3)[nH]c2=O)N1
InChIInChI=1S/C12H14N4O5/c17-7-5-6(11(19)20)8-9(13-7)14-12(15-10(8)18)16-1-3-21-4-2-16/h6H,1-5H2,(H,19,20)(H2,13,14,15,17,18)
InChIKeyIJOVGHIIMNSTDU-UHFFFAOYSA-N
XLogP-0.88
TPSA124.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-morpholin-4-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylic acid (CID 135645581) is 2-morpholin-4-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-morpholin-4-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-morpholin-4-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylic acid is O=C1CC(C(=O)O)c2c(nc(N3CCOCC3)[nH]c2=O)N1.
What is the InChIKey of 2-morpholin-4-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylic acid?
The InChIKey is IJOVGHIIMNSTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O5/c17-7-5-6(11(19)20)8-9(13-7)14-12(15-10(8)18)16-1-3-21-4-2-16/h6H,1-5H2,(H,19,20)(H2,13,14,15,17,18).
What are the key properties of 2-morpholin-4-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylic acid?
2-morpholin-4-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylic acid has a molecular weight of 294.27 g/mol, XLogP of -0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 135645581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).