3-methyl-1-(2-methylpropyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4,5-trione

C11H15N3O3 — CID 4982800

IUPAC3-methyl-1-(2-methylpropyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4,5-trione
SMILESCC(C)Cn1c2c(c(=O)n(C)c1=O)C(=O)CN2
InChIInChI=1S/C11H15N3O3/c1-6(2)5-14-9-8(7(15)4-12-9)10(16)13(3)11(14)17/h6,12H,4-5H2,1-3H3
InChIKeyCHNSDPOYWSYWBF-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.19
Rot. Bonds2

About 3-methyl-1-(2-methylpropyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4,5-trione

3-methyl-1-(2-methylpropyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4,5-trione (PubChem CID 4982800) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-methyl-1-(2-methylpropyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4,5-trione.

Molecular Properties

Compound Name3-methyl-1-(2-methylpropyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4,5-trione
PubChem CID4982800
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-methyl-1-(2-methylpropyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4,5-trione
SMILESCC(C)Cn1c2c(c(=O)n(C)c1=O)C(=O)CN2
InChIInChI=1S/C11H15N3O3/c1-6(2)5-14-9-8(7(15)4-12-9)10(16)13(3)11(14)17/h6,12H,4-5H2,1-3H3
InChIKeyCHNSDPOYWSYWBF-UHFFFAOYSA-N
XLogP-0.19
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylpropyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4,5-trione?
The IUPAC name of 3-methyl-1-(2-methylpropyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4,5-trione (CID 4982800) is 3-methyl-1-(2-methylpropyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4,5-trione.
What is the SMILES notation for 3-methyl-1-(2-methylpropyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4,5-trione?
The canonical SMILES for 3-methyl-1-(2-methylpropyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4,5-trione is CC(C)Cn1c2c(c(=O)n(C)c1=O)C(=O)CN2.
What is the InChIKey of 3-methyl-1-(2-methylpropyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4,5-trione?
The InChIKey is CHNSDPOYWSYWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-6(2)5-14-9-8(7(15)4-12-9)10(16)13(3)11(14)17/h6,12H,4-5H2,1-3H3.
What are the key properties of 3-methyl-1-(2-methylpropyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4,5-trione?
3-methyl-1-(2-methylpropyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4,5-trione has a molecular weight of 237.26 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylpropyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4,5-trione is sourced from PubChem (CID 4982800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).