3-methyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione

C7H7N3O2 — CID 10034949

IUPAC3-methyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c2cc[nH]c2c1=O
InChIInChI=1S/C7H7N3O2/c1-10-6(11)5-4(2-3-8-5)9-7(10)12/h2-3,8H,1H3,(H,9,12)
InChIKeyZYLGXTDHYAQESR-UHFFFAOYSA-N
MW165.15 g/mol
LogP-0.45
Rot. Bonds

About 3-methyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione

3-methyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 10034949) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 3-methyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID10034949
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name3-methyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c2cc[nH]c2c1=O
InChIInChI=1S/C7H7N3O2/c1-10-6(11)5-4(2-3-8-5)9-7(10)12/h2-3,8H,1H3,(H,9,12)
InChIKeyZYLGXTDHYAQESR-UHFFFAOYSA-N
XLogP-0.45
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione (CID 10034949) is 3-methyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione is Cn1c(=O)[nH]c2cc[nH]c2c1=O.
What is the InChIKey of 3-methyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is ZYLGXTDHYAQESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c1-10-6(11)5-4(2-3-8-5)9-7(10)12/h2-3,8H,1H3,(H,9,12).
What are the key properties of 3-methyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
3-methyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 165.15 g/mol, XLogP of -0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 10034949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).