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

C11H14N4O3 — CID 67543199

IUPAC2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)N1Cc2cnc(N3CCOCC3)nc2C1
InChIInChI=1S/C11H14N4O3/c16-11(17)15-6-8-5-12-10(13-9(8)7-15)14-1-3-18-4-2-14/h5H,1-4,6-7H2,(H,16,17)
InChIKeyQEEHQPQPKXCKGH-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.31
Rot. Bonds1

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

2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid (PubChem CID 67543199) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid
PubChem CID67543199
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)N1Cc2cnc(N3CCOCC3)nc2C1
InChIInChI=1S/C11H14N4O3/c16-11(17)15-6-8-5-12-10(13-9(8)7-15)14-1-3-18-4-2-14/h5H,1-4,6-7H2,(H,16,17)
InChIKeyQEEHQPQPKXCKGH-UHFFFAOYSA-N
XLogP0.31
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid (CID 67543199) is 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid is O=C(O)N1Cc2cnc(N3CCOCC3)nc2C1.
What is the InChIKey of 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid?
The InChIKey is QEEHQPQPKXCKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c16-11(17)15-6-8-5-12-10(13-9(8)7-15)14-1-3-18-4-2-14/h5H,1-4,6-7H2,(H,16,17).
What are the key properties of 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid?
2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid has a molecular weight of 250.26 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 67543199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).