1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-methoxyethanone

C11H15N3O2 — CID 56750850

IUPAC1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-methoxyethanone
SMILESCCc1ncc2c(n1)CN(C(=O)COC)C2
InChIInChI=1S/C11H15N3O2/c1-3-10-12-4-8-5-14(6-9(8)13-10)11(15)7-16-2/h4H,3,5-7H2,1-2H3
InChIKeyWCQDEKCIIFVILC-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.53
Rot. Bonds3

About 1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-methoxyethanone

1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-methoxyethanone (PubChem CID 56750850) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-methoxyethanone
PubChem CID56750850
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-methoxyethanone
SMILESCCc1ncc2c(n1)CN(C(=O)COC)C2
InChIInChI=1S/C11H15N3O2/c1-3-10-12-4-8-5-14(6-9(8)13-10)11(15)7-16-2/h4H,3,5-7H2,1-2H3
InChIKeyWCQDEKCIIFVILC-UHFFFAOYSA-N
XLogP0.53
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-acetyl-2-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56745332
6-tert-butyl 2-methyl 5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,6-dicarboxylate
CID 18442820
tert-butyl 2-chloro-5H,6H,7H-pyrrolo(3,4-d)pyrimidine-6-carboxylate
CID 66570699
methyl 5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2-carboxylate hydrochloride
CID 122163573
2-((4-Methylpyrimidin-2-yl)oxy)-1-(pyrrolidin-1-yl)ethanone
CID 52417044
N-[2-(2-isobutyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]acetamide
CID 56738945
2-tert-butyl-6-(2-methoxy-2-methylpropanoyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56739967
N-[2-(2-ethyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-2-methylpropanamide
CID 56740037
N-[3-(2-ethyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-1-methyl-3-oxopropyl]acetamide
CID 56741666
2,2-dimethyl-1-(5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)propan-1-one
CID 71805746
potassium 6-((tert-butoxy)carbonyl)-5H,6H,7H-pyrrolo(3,4-d)pyrimidine-2-carboxylate
CID 165670312
2-isobutyl-6-{[1-(2-methoxyethyl)piperidin-4-yl]carbonyl}-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56750825

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-methoxyethanone?
The IUPAC name of 1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-methoxyethanone (CID 56750850) is 1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-methoxyethanone?
The canonical SMILES for 1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-methoxyethanone is CCc1ncc2c(n1)CN(C(=O)COC)C2.
What is the InChIKey of 1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-methoxyethanone?
The InChIKey is WCQDEKCIIFVILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-3-10-12-4-8-5-14(6-9(8)13-10)11(15)7-16-2/h4H,3,5-7H2,1-2H3.
What are the key properties of 1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-methoxyethanone?
1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-methoxyethanone has a molecular weight of 221.26 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-methoxyethanone is sourced from PubChem (CID 56750850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).