methyl 3-(2-methoxy-4,5-dimethylpyrrolo[3,2-d]pyrimidin-7-yl)-3-oxopropanoate

C13H15N3O4 — CID 82667538

IUPACmethyl 3-(2-methoxy-4,5-dimethylpyrrolo[3,2-d]pyrimidin-7-yl)-3-oxopropanoate
SMILESCOC(=O)CC(=O)c1cn(C)c2c(C)nc(OC)nc12
InChIInChI=1S/C13H15N3O4/c1-7-12-11(15-13(14-7)20-4)8(6-16(12)2)9(17)5-10(18)19-3/h6H,5H2,1-4H3
InChIKeyUATBADPDTLNTPC-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.03
Rot. Bonds4

About methyl 3-(2-methoxy-4,5-dimethylpyrrolo[3,2-d]pyrimidin-7-yl)-3-oxopropanoate

methyl 3-(2-methoxy-4,5-dimethylpyrrolo[3,2-d]pyrimidin-7-yl)-3-oxopropanoate (PubChem CID 82667538) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is methyl 3-(2-methoxy-4,5-dimethylpyrrolo[3,2-d]pyrimidin-7-yl)-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-(2-methoxy-4,5-dimethylpyrrolo[3,2-d]pyrimidin-7-yl)-3-oxopropanoate
PubChem CID82667538
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Namemethyl 3-(2-methoxy-4,5-dimethylpyrrolo[3,2-d]pyrimidin-7-yl)-3-oxopropanoate
SMILESCOC(=O)CC(=O)c1cn(C)c2c(C)nc(OC)nc12
InChIInChI=1S/C13H15N3O4/c1-7-12-11(15-13(14-7)20-4)8(6-16(12)2)9(17)5-10(18)19-3/h6H,5H2,1-4H3
InChIKeyUATBADPDTLNTPC-UHFFFAOYSA-N
XLogP1.03
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze methyl 3-(2-methoxy-4,5-dimethylpyrrolo[3,2-d]pyrimidin-7-yl)-3-oxopropanoate with MolForge

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Related Compounds

methyl 3-(7-methoxy-1-methylindol-3-yl)-3-oxopropanoate
CID 82666025
methyl 3-(2,4-dimethoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3-oxopropanoate
CID 82667583
methyl 3-(2,5-dimethyltriazol-4-yl)-3-oxopropanoate
CID 82657809
methyl 3-(6-methoxy-2-methylquinolin-4-yl)-3-oxopropanoate
CID 82667452
methyl 3-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-oxopropanoate
CID 82657808
methyl 3-(6-fluoro-2-methylquinolin-4-yl)-3-oxopropanoate
CID 82666021
methyl 3-(2,5-dimethylfuran-3-yl)-3-oxopropanoate
CID 79679462
methyl 3-(2-methyl-1,3-thiazol-4-yl)-3-oxopropanoate
CID 82658265
2-amino-3-(2-methoxy-4,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)propanoic acid
CID 82666863
methyl 1,3-dimethylpyrazole-4-carboxylate
CID 12654287
methyl 3-(6-methoxypyrazin-2-yl)-3-oxopropanoate
CID 21398889
methyl 3-(2-iodophenyl)-3-oxopropanoate
CID 2759370

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methoxy-4,5-dimethylpyrrolo[3,2-d]pyrimidin-7-yl)-3-oxopropanoate?
The IUPAC name of methyl 3-(2-methoxy-4,5-dimethylpyrrolo[3,2-d]pyrimidin-7-yl)-3-oxopropanoate (CID 82667538) is methyl 3-(2-methoxy-4,5-dimethylpyrrolo[3,2-d]pyrimidin-7-yl)-3-oxopropanoate.
What is the SMILES notation for methyl 3-(2-methoxy-4,5-dimethylpyrrolo[3,2-d]pyrimidin-7-yl)-3-oxopropanoate?
The canonical SMILES for methyl 3-(2-methoxy-4,5-dimethylpyrrolo[3,2-d]pyrimidin-7-yl)-3-oxopropanoate is COC(=O)CC(=O)c1cn(C)c2c(C)nc(OC)nc12.
What is the InChIKey of methyl 3-(2-methoxy-4,5-dimethylpyrrolo[3,2-d]pyrimidin-7-yl)-3-oxopropanoate?
The InChIKey is UATBADPDTLNTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-7-12-11(15-13(14-7)20-4)8(6-16(12)2)9(17)5-10(18)19-3/h6H,5H2,1-4H3.
What are the key properties of methyl 3-(2-methoxy-4,5-dimethylpyrrolo[3,2-d]pyrimidin-7-yl)-3-oxopropanoate?
methyl 3-(2-methoxy-4,5-dimethylpyrrolo[3,2-d]pyrimidin-7-yl)-3-oxopropanoate has a molecular weight of 277.28 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methoxy-4,5-dimethylpyrrolo[3,2-d]pyrimidin-7-yl)-3-oxopropanoate is sourced from PubChem (CID 82667538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).