ethane;4-methyl-7H-pyrrolo[3,4-d]pyrimidine

C9H13N3 — CID 162358341

IUPACethane;4-methyl-7H-pyrrolo[3,4-d]pyrimidine
SMILESCC.Cc1ncnc2c1C=NC2
InChIInChI=1S/C7H7N3.C2H6/c1-5-6-2-8-3-7(6)10-4-9-5;1-2/h2,4H,3H2,1H3;1-2H3
InChIKeyCDZOONOBODURSJ-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.74
Rot. Bonds

About ethane;4-methyl-7H-pyrrolo[3,4-d]pyrimidine

ethane;4-methyl-7H-pyrrolo[3,4-d]pyrimidine (PubChem CID 162358341) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is ethane;4-methyl-7H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Nameethane;4-methyl-7H-pyrrolo[3,4-d]pyrimidine
PubChem CID162358341
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Nameethane;4-methyl-7H-pyrrolo[3,4-d]pyrimidine
SMILESCC.Cc1ncnc2c1C=NC2
InChIInChI=1S/C7H7N3.C2H6/c1-5-6-2-8-3-7(6)10-4-9-5;1-2/h2,4H,3H2,1H3;1-2H3
InChIKeyCDZOONOBODURSJ-UHFFFAOYSA-N
XLogP1.74
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-7H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of ethane;4-methyl-7H-pyrrolo[3,4-d]pyrimidine (CID 162358341) is ethane;4-methyl-7H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for ethane;4-methyl-7H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for ethane;4-methyl-7H-pyrrolo[3,4-d]pyrimidine is CC.Cc1ncnc2c1C=NC2.
What is the InChIKey of ethane;4-methyl-7H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is CDZOONOBODURSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3.C2H6/c1-5-6-2-8-3-7(6)10-4-9-5;1-2/h2,4H,3H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-7H-pyrrolo[3,4-d]pyrimidine?
ethane;4-methyl-7H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 163.22 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-7H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 162358341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).