7-methylpyrrolo[2,3-d]pyrimidine

C7H7N3 — CID 45080245

IUPAC7-methylpyrrolo[2,3-d]pyrimidine
SMILESCn1ccc2cncnc21
InChIInChI=1S/C7H7N3/c1-10-3-2-6-4-8-5-9-7(6)10/h2-5H,1H3
InChIKeyXDTQCCMRBSYSAO-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.97
Rot. Bonds

About 7-methylpyrrolo[2,3-d]pyrimidine

7-methylpyrrolo[2,3-d]pyrimidine (PubChem CID 45080245) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 7-methylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-methylpyrrolo[2,3-d]pyrimidine
PubChem CID45080245
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name7-methylpyrrolo[2,3-d]pyrimidine
SMILESCn1ccc2cncnc21
InChIInChI=1S/C7H7N3/c1-10-3-2-6-4-8-5-9-7(6)10/h2-5H,1H3
InChIKeyXDTQCCMRBSYSAO-UHFFFAOYSA-N
XLogP0.97
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-methylpyrrolo[2,3-d]pyrimidine (CID 45080245) is 7-methylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-methylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-methylpyrrolo[2,3-d]pyrimidine is Cn1ccc2cncnc21.
What is the InChIKey of 7-methylpyrrolo[2,3-d]pyrimidine?
The InChIKey is XDTQCCMRBSYSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c1-10-3-2-6-4-8-5-9-7(6)10/h2-5H,1H3.
What are the key properties of 7-methylpyrrolo[2,3-d]pyrimidine?
7-methylpyrrolo[2,3-d]pyrimidine has a molecular weight of 133.15 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 45080245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).