5-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one

C7H7N3O — CID 135741785

IUPAC5-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESCn1ccc2nc[nH]c(=O)c21
InChIInChI=1S/C7H7N3O/c1-10-3-2-5-6(10)7(11)9-4-8-5/h2-4H,1H3,(H,8,9,11)
InChIKeyWOGXCJVRXWCZIS-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.26
Rot. Bonds

About 5-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one

5-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135741785) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 5-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135741785
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name5-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESCn1ccc2nc[nH]c(=O)c21
InChIInChI=1S/C7H7N3O/c1-10-3-2-5-6(10)7(11)9-4-8-5/h2-4H,1H3,(H,8,9,11)
InChIKeyWOGXCJVRXWCZIS-UHFFFAOYSA-N
XLogP0.26
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 5-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one (CID 135741785) is 5-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 5-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one is Cn1ccc2nc[nH]c(=O)c21.
What is the InChIKey of 5-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is WOGXCJVRXWCZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-10-3-2-5-6(10)7(11)9-4-8-5/h2-4H,1H3,(H,8,9,11).
What are the key properties of 5-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one?
5-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 149.15 g/mol, XLogP of 0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135741785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).