methyl 4-methoxy-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate

C10H11N3O3 — CID 133061748

IUPACmethyl 4-methoxy-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cc2c(OC)nc(C)nc2[nH]1
InChIInChI=1S/C10H11N3O3/c1-5-11-8-6(9(12-5)15-2)4-7(13-8)10(14)16-3/h4H,1-3H3,(H,11,12,13)
InChIKeyWCZCBMPICUAJLD-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.06
Rot. Bonds2

About methyl 4-methoxy-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate

methyl 4-methoxy-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate (PubChem CID 133061748) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is methyl 4-methoxy-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
PubChem CID133061748
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Namemethyl 4-methoxy-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cc2c(OC)nc(C)nc2[nH]1
InChIInChI=1S/C10H11N3O3/c1-5-11-8-6(9(12-5)15-2)4-7(13-8)10(14)16-3/h4H,1-3H3,(H,11,12,13)
InChIKeyWCZCBMPICUAJLD-UHFFFAOYSA-N
XLogP1.06
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 4-methoxy-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate (CID 133061748) is methyl 4-methoxy-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 4-methoxy-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 4-methoxy-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate is COC(=O)c1cc2c(OC)nc(C)nc2[nH]1.
What is the InChIKey of methyl 4-methoxy-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is WCZCBMPICUAJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-5-11-8-6(9(12-5)15-2)4-7(13-8)10(14)16-3/h4H,1-3H3,(H,11,12,13).
What are the key properties of methyl 4-methoxy-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate?
methyl 4-methoxy-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 221.22 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 133061748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).