6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine

C7H9N3 — CID 18442742

IUPAC6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCN1Cc2cncnc2C1
InChIInChI=1S/C7H9N3/c1-10-3-6-2-8-5-9-7(6)4-10/h2,5H,3-4H2,1H3
InChIKeyLGSSAFKZHGWNMJ-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.42
Rot. Bonds

About 6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine

6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine (PubChem CID 18442742) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
PubChem CID18442742
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCN1Cc2cncnc2C1
InChIInChI=1S/C7H9N3/c1-10-3-6-2-8-5-9-7(6)4-10/h2,5H,3-4H2,1H3
InChIKeyLGSSAFKZHGWNMJ-UHFFFAOYSA-N
XLogP0.42
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The IUPAC name of 6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine (CID 18442742) is 6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine is CN1Cc2cncnc2C1.
What is the InChIKey of 6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The InChIKey is LGSSAFKZHGWNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-10-3-6-2-8-5-9-7(6)4-10/h2,5H,3-4H2,1H3.
What are the key properties of 6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine has a molecular weight of 135.17 g/mol, XLogP of 0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 18442742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).