2,4-dimethoxy-5H-pyrrolo[2,3-d]pyrimidine

C8H9N3O2 — CID 125359927

IUPAC2,4-dimethoxy-5H-pyrrolo[2,3-d]pyrimidine
SMILESCOc1nc2c(c(OC)n1)CC=N2
InChIInChI=1S/C8H9N3O2/c1-12-7-5-3-4-9-6(5)10-8(11-7)13-2/h4H,3H2,1-2H3
InChIKeyPRRKXAOMVMHWID-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.75
Rot. Bonds2

About 2,4-dimethoxy-5H-pyrrolo[2,3-d]pyrimidine

2,4-dimethoxy-5H-pyrrolo[2,3-d]pyrimidine (PubChem CID 125359927) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 2,4-dimethoxy-5H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,4-dimethoxy-5H-pyrrolo[2,3-d]pyrimidine
PubChem CID125359927
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name2,4-dimethoxy-5H-pyrrolo[2,3-d]pyrimidine
SMILESCOc1nc2c(c(OC)n1)CC=N2
InChIInChI=1S/C8H9N3O2/c1-12-7-5-3-4-9-6(5)10-8(11-7)13-2/h4H,3H2,1-2H3
InChIKeyPRRKXAOMVMHWID-UHFFFAOYSA-N
XLogP0.75
TPSA56.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-5H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2,4-dimethoxy-5H-pyrrolo[2,3-d]pyrimidine (CID 125359927) is 2,4-dimethoxy-5H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2,4-dimethoxy-5H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2,4-dimethoxy-5H-pyrrolo[2,3-d]pyrimidine is COc1nc2c(c(OC)n1)CC=N2.
What is the InChIKey of 2,4-dimethoxy-5H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is PRRKXAOMVMHWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-12-7-5-3-4-9-6(5)10-8(11-7)13-2/h4H,3H2,1-2H3.
What are the key properties of 2,4-dimethoxy-5H-pyrrolo[2,3-d]pyrimidine?
2,4-dimethoxy-5H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 179.18 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-5H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 125359927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).