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

C10H13N3O2 — CID 97357729

IUPAC6-methyl-3-propyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)[nH]c2cc(C)[nH]c2c1=O
InChIInChI=1S/C10H13N3O2/c1-3-4-13-9(14)8-7(12-10(13)15)5-6(2)11-8/h5,11H,3-4H2,1-2H3,(H,12,15)
InChIKeyVHOVGFYQLJQHEP-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.74
Rot. Bonds2

About 6-methyl-3-propyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione

6-methyl-3-propyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 97357729) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 6-methyl-3-propyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-3-propyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID97357729
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name6-methyl-3-propyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)[nH]c2cc(C)[nH]c2c1=O
InChIInChI=1S/C10H13N3O2/c1-3-4-13-9(14)8-7(12-10(13)15)5-6(2)11-8/h5,11H,3-4H2,1-2H3,(H,12,15)
InChIKeyVHOVGFYQLJQHEP-UHFFFAOYSA-N
XLogP0.74
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-propyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-3-propyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione (CID 97357729) is 6-methyl-3-propyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-3-propyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-3-propyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione is CCCn1c(=O)[nH]c2cc(C)[nH]c2c1=O.
What is the InChIKey of 6-methyl-3-propyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is VHOVGFYQLJQHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-3-4-13-9(14)8-7(12-10(13)15)5-6(2)11-8/h5,11H,3-4H2,1-2H3,(H,12,15).
What are the key properties of 6-methyl-3-propyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
6-methyl-3-propyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 207.23 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-propyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 97357729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).