1-(2,4-dimethoxypyrrolo[3,2-d]pyrimidin-5-yl)ethanone

C10H11N3O3 — CID 641091

IUPAC1-(2,4-dimethoxypyrrolo[3,2-d]pyrimidin-5-yl)ethanone
SMILESCOc1nc(OC)c2c(ccn2C(C)=O)n1
InChIInChI=1S/C10H11N3O3/c1-6(14)13-5-4-7-8(13)9(15-2)12-10(11-7)16-3/h4-5H,1-3H3
InChIKeyXVTIKILOFDRJBG-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.11
Rot. Bonds2

About 1-(2,4-dimethoxypyrrolo[3,2-d]pyrimidin-5-yl)ethanone

1-(2,4-dimethoxypyrrolo[3,2-d]pyrimidin-5-yl)ethanone (PubChem CID 641091) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 1-(2,4-dimethoxypyrrolo[3,2-d]pyrimidin-5-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-dimethoxypyrrolo[3,2-d]pyrimidin-5-yl)ethanone
PubChem CID641091
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name1-(2,4-dimethoxypyrrolo[3,2-d]pyrimidin-5-yl)ethanone
SMILESCOc1nc(OC)c2c(ccn2C(C)=O)n1
InChIInChI=1S/C10H11N3O3/c1-6(14)13-5-4-7-8(13)9(15-2)12-10(11-7)16-3/h4-5H,1-3H3
InChIKeyXVTIKILOFDRJBG-UHFFFAOYSA-N
XLogP1.11
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxypyrrolo[3,2-d]pyrimidin-5-yl)ethanone?
The IUPAC name of 1-(2,4-dimethoxypyrrolo[3,2-d]pyrimidin-5-yl)ethanone (CID 641091) is 1-(2,4-dimethoxypyrrolo[3,2-d]pyrimidin-5-yl)ethanone.
What is the SMILES notation for 1-(2,4-dimethoxypyrrolo[3,2-d]pyrimidin-5-yl)ethanone?
The canonical SMILES for 1-(2,4-dimethoxypyrrolo[3,2-d]pyrimidin-5-yl)ethanone is COc1nc(OC)c2c(ccn2C(C)=O)n1.
What is the InChIKey of 1-(2,4-dimethoxypyrrolo[3,2-d]pyrimidin-5-yl)ethanone?
The InChIKey is XVTIKILOFDRJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-6(14)13-5-4-7-8(13)9(15-2)12-10(11-7)16-3/h4-5H,1-3H3.
What are the key properties of 1-(2,4-dimethoxypyrrolo[3,2-d]pyrimidin-5-yl)ethanone?
1-(2,4-dimethoxypyrrolo[3,2-d]pyrimidin-5-yl)ethanone has a molecular weight of 221.22 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxypyrrolo[3,2-d]pyrimidin-5-yl)ethanone is sourced from PubChem (CID 641091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).