6-cyclopropyl-2-methoxy-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carboxylic acid

C11H13N3O3 — CID 83918955

IUPAC6-cyclopropyl-2-methoxy-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carboxylic acid
SMILESCOc1nc2c(c(C(=O)O)n1)CN(C1CC1)C2
InChIInChI=1S/C11H13N3O3/c1-17-11-12-8-5-14(6-2-3-6)4-7(8)9(13-11)10(15)16/h6H,2-5H2,1H3,(H,15,16)
InChIKeyKWMYBCXZZUWRQC-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.66
Rot. Bonds3

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

6-cyclopropyl-2-methoxy-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carboxylic acid (PubChem CID 83918955) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 6-cyclopropyl-2-methoxy-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-cyclopropyl-2-methoxy-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carboxylic acid
PubChem CID83918955
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name6-cyclopropyl-2-methoxy-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carboxylic acid
SMILESCOc1nc2c(c(C(=O)O)n1)CN(C1CC1)C2
InChIInChI=1S/C11H13N3O3/c1-17-11-12-8-5-14(6-2-3-6)4-7(8)9(13-11)10(15)16/h6H,2-5H2,1H3,(H,15,16)
InChIKeyKWMYBCXZZUWRQC-UHFFFAOYSA-N
XLogP0.66
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid
CID 83915632
5-cyclopentyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylic acid
CID 83917773
2-(methoxymethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxylic acid
CID 83824495
1-[4-(2-methoxy-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 174310418
6-cyclopropyl-2-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine
CID 83849317
1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]pyrrolidine-3-carboxylic acid
CID 122048519
5-cyclopropyl-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 83102585
[1-(3-chlorophenyl)-4-(4-cyclopropyl-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)cyclohexyl]methanamine
CID 25168758
1-[4-[6-(2,3-dihydro-1H-inden-1-yl)-2-methoxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]-3-ethynylpiperazin-1-yl]prop-2-en-1-one
CID 156843783
tert-butyl 3-(2-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 163223039
6-[[(2R,6R)-6-ethyloxan-2-yl]methylamino]-2-methoxy-5-methylpyrimidine-4-carboxylic acid
CID 134408165
3-[(1-cyclopropylpyrrolidin-3-yl)amino]-4-methoxybenzoic acid
CID 63742450

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-methoxy-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carboxylic acid?
The IUPAC name of 6-cyclopropyl-2-methoxy-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carboxylic acid (CID 83918955) is 6-cyclopropyl-2-methoxy-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-cyclopropyl-2-methoxy-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-cyclopropyl-2-methoxy-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carboxylic acid is COc1nc2c(c(C(=O)O)n1)CN(C1CC1)C2.
What is the InChIKey of 6-cyclopropyl-2-methoxy-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carboxylic acid?
The InChIKey is KWMYBCXZZUWRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-17-11-12-8-5-14(6-2-3-6)4-7(8)9(13-11)10(15)16/h6H,2-5H2,1H3,(H,15,16).
What are the key properties of 6-cyclopropyl-2-methoxy-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carboxylic acid?
6-cyclopropyl-2-methoxy-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-methoxy-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 83918955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).