5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C7H7N3O — CID 135741818

IUPAC5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1c[nH]c2nc[nH]c(=O)c12
InChIInChI=1S/C7H7N3O/c1-4-2-8-6-5(4)7(11)10-3-9-6/h2-3H,1H3,(H2,8,9,10,11)
InChIKeyGEXRTPPPJWUZFK-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.56
Rot. Bonds

About 5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135741818) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135741818
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1c[nH]c2nc[nH]c(=O)c12
InChIInChI=1S/C7H7N3O/c1-4-2-8-6-5(4)7(11)10-3-9-6/h2-3H,1H3,(H2,8,9,10,11)
InChIKeyGEXRTPPPJWUZFK-UHFFFAOYSA-N
XLogP0.56
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 135741818) is 5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is Cc1c[nH]c2nc[nH]c(=O)c12.
What is the InChIKey of 5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is GEXRTPPPJWUZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-4-2-8-6-5(4)7(11)10-3-9-6/h2-3H,1H3,(H2,8,9,10,11).
What are the key properties of 5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 149.15 g/mol, XLogP of 0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135741818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).