2-pyrrolidin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid

C11H14N4O2 — CID 67542092

IUPAC2-pyrrolidin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)N1Cc2cnc(N3CCCC3)nc2C1
InChIInChI=1S/C11H14N4O2/c16-11(17)15-6-8-5-12-10(13-9(8)7-15)14-3-1-2-4-14/h5H,1-4,6-7H2,(H,16,17)
InChIKeyQSEUHMMWCHIILK-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.07
Rot. Bonds1

About 2-pyrrolidin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid

2-pyrrolidin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid (PubChem CID 67542092) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid
PubChem CID67542092
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name2-pyrrolidin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)N1Cc2cnc(N3CCCC3)nc2C1
InChIInChI=1S/C11H14N4O2/c16-11(17)15-6-8-5-12-10(13-9(8)7-15)14-3-1-2-4-14/h5H,1-4,6-7H2,(H,16,17)
InChIKeyQSEUHMMWCHIILK-UHFFFAOYSA-N
XLogP1.07
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 46261777
[(1R)-cyclohex-3-en-1-yl]-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
CID 99984455
1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenoxyethanone
CID 86264559
2-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 46329752
4-methyl-2-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 16653120
2-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 105473150
2-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
CID 83835396
(5-cyclopropyl-1,2-oxazol-3-yl)-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
CID 86264580
(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
CID 136528816
2-piperidin-1-yl-5,8-dihydropyrido[3,4-d]pyrimidine
CID 69056360
1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanone
CID 86264577
4-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
CID 83852678

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-pyrrolidin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid (CID 67542092) is 2-pyrrolidin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-pyrrolidin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-pyrrolidin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid is O=C(O)N1Cc2cnc(N3CCCC3)nc2C1.
What is the InChIKey of 2-pyrrolidin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid?
The InChIKey is QSEUHMMWCHIILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c16-11(17)15-6-8-5-12-10(13-9(8)7-15)14-3-1-2-4-14/h5H,1-4,6-7H2,(H,16,17).
What are the key properties of 2-pyrrolidin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid?
2-pyrrolidin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid has a molecular weight of 234.26 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 67542092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).