7H-pyrrolo[3,2-d]pyrimidine

C6H5N3 — CID 23560336

IUPAC7H-pyrrolo[3,2-d]pyrimidine
SMILESC1=Nc2cncnc2C1
InChIInChI=1S/C6H5N3/c1-2-8-6-3-7-4-9-5(1)6/h2-4H,1H2
InChIKeyRZJKPVHDLQVYEM-UHFFFAOYSA-N
MW119.13 g/mol
LogP0.74
Rot. Bonds

About 7H-pyrrolo[3,2-d]pyrimidine

7H-pyrrolo[3,2-d]pyrimidine (PubChem CID 23560336) has the molecular formula C6H5N3 and a molecular weight of 119.13 g/mol. Its IUPAC name is 7H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name7H-pyrrolo[3,2-d]pyrimidine
PubChem CID23560336
Molecular FormulaC6H5N3
Molecular Weight119.13 g/mol
Exact Mass119.05
IUPAC Name7H-pyrrolo[3,2-d]pyrimidine
SMILESC1=Nc2cncnc2C1
InChIInChI=1S/C6H5N3/c1-2-8-6-3-7-4-9-5(1)6/h2-4H,1H2
InChIKeyRZJKPVHDLQVYEM-UHFFFAOYSA-N
XLogP0.74
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.13
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 7H-pyrrolo[3,2-d]pyrimidine (CID 23560336) is 7H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 7H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 7H-pyrrolo[3,2-d]pyrimidine is C1=Nc2cncnc2C1.
What is the InChIKey of 7H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is RZJKPVHDLQVYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3/c1-2-8-6-3-7-4-9-5(1)6/h2-4H,1H2.
What are the key properties of 7H-pyrrolo[3,2-d]pyrimidine?
7H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 119.13 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 23560336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).