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

C7H7N3 — CID 58957259

IUPAC7-methyl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1c[nH]c2cncnc12
InChIInChI=1S/C7H7N3/c1-5-2-9-6-3-8-4-10-7(5)6/h2-4,9H,1H3
InChIKeyCQBATHGZXBMXBA-UHFFFAOYSA-N
MW133.15 g/mol
LogP1.27
Rot. Bonds

About 7-methyl-5H-pyrrolo[3,2-d]pyrimidine

7-methyl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 58957259) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 7-methyl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-methyl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID58957259
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name7-methyl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1c[nH]c2cncnc12
InChIInChI=1S/C7H7N3/c1-5-2-9-6-3-8-4-10-7(5)6/h2-4,9H,1H3
InChIKeyCQBATHGZXBMXBA-UHFFFAOYSA-N
XLogP1.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 7-methyl-5H-pyrrolo[3,2-d]pyrimidine (CID 58957259) is 7-methyl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 7-methyl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 7-methyl-5H-pyrrolo[3,2-d]pyrimidine is Cc1c[nH]c2cncnc12.
What is the InChIKey of 7-methyl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is CQBATHGZXBMXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c1-5-2-9-6-3-8-4-10-7(5)6/h2-4,9H,1H3.
What are the key properties of 7-methyl-5H-pyrrolo[3,2-d]pyrimidine?
7-methyl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 133.15 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 58957259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).