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

C6H5N3 — CID 577022

IUPAC5H-pyrrolo[3,2-d]pyrimidine
SMILESc1ncc2[nH]ccc2n1
InChIInChI=1S/C6H5N3/c1-2-8-6-3-7-4-9-5(1)6/h1-4,8H
InChIKeyKDOPAZIWBAHVJB-UHFFFAOYSA-N
MW119.13 g/mol
LogP0.96
Rot. Bonds

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

5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 577022) has the molecular formula C6H5N3 and a molecular weight of 119.13 g/mol. Its IUPAC name is 5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name5H-pyrrolo[3,2-d]pyrimidine
PubChem CID577022
Molecular FormulaC6H5N3
Molecular Weight119.13 g/mol
Exact Mass119.05
IUPAC Name5H-pyrrolo[3,2-d]pyrimidine
SMILESc1ncc2[nH]ccc2n1
InChIInChI=1S/C6H5N3/c1-2-8-6-3-7-4-9-5(1)6/h1-4,8H
InChIKeyKDOPAZIWBAHVJB-UHFFFAOYSA-N
XLogP0.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.13
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 5H-pyrrolo[3,2-d]pyrimidine (CID 577022) is 5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 5H-pyrrolo[3,2-d]pyrimidine is c1ncc2[nH]ccc2n1.
What is the InChIKey of 5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is KDOPAZIWBAHVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3/c1-2-8-6-3-7-4-9-5(1)6/h1-4,8H.
What are the key properties of 5H-pyrrolo[3,2-d]pyrimidine?
5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 119.13 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 577022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).