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

C7H7N3O — CID 10464488

IUPAC4-methoxy-5H-pyrrolo[3,2-d]pyrimidine
SMILESCOc1ncnc2cc[nH]c12
InChIInChI=1S/C7H7N3O/c1-11-7-6-5(2-3-8-6)9-4-10-7/h2-4,8H,1H3
InChIKeyLUSAOPJMFGKLTG-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.97
Rot. Bonds1

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

4-methoxy-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 10464488) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 4-methoxy-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-methoxy-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID10464488
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name4-methoxy-5H-pyrrolo[3,2-d]pyrimidine
SMILESCOc1ncnc2cc[nH]c12
InChIInChI=1S/C7H7N3O/c1-11-7-6-5(2-3-8-6)9-4-10-7/h2-4,8H,1H3
InChIKeyLUSAOPJMFGKLTG-UHFFFAOYSA-N
XLogP0.97
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 4-methoxy-5H-pyrrolo[3,2-d]pyrimidine (CID 10464488) is 4-methoxy-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 4-methoxy-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 4-methoxy-5H-pyrrolo[3,2-d]pyrimidine is COc1ncnc2cc[nH]c12.
What is the InChIKey of 4-methoxy-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is LUSAOPJMFGKLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-11-7-6-5(2-3-8-6)9-4-10-7/h2-4,8H,1H3.
What are the key properties of 4-methoxy-5H-pyrrolo[3,2-d]pyrimidine?
4-methoxy-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 149.15 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 10464488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).