6-benzyl-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione

C18H21N3O2 — CID 10244955

IUPAC6-benzyl-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(=O)n(C)c(=O)c2cn(Cc3ccccc3)cc21
InChIInChI=1S/C18H21N3O2/c1-13(2)9-21-16-12-20(10-14-7-5-4-6-8-14)11-15(16)17(22)19(3)18(21)23/h4-8,11-13H,9-10H2,1-3H3
InChIKeyUXSREDZRFQXJNX-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.21
Rot. Bonds4

About 6-benzyl-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione

6-benzyl-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 10244955) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 6-benzyl-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-benzyl-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID10244955
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name6-benzyl-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(=O)n(C)c(=O)c2cn(Cc3ccccc3)cc21
InChIInChI=1S/C18H21N3O2/c1-13(2)9-21-16-12-20(10-14-7-5-4-6-8-14)11-15(16)17(22)19(3)18(21)23/h4-8,11-13H,9-10H2,1-3H3
InChIKeyUXSREDZRFQXJNX-UHFFFAOYSA-N
XLogP2.21
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 6-benzyl-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (CID 10244955) is 6-benzyl-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-benzyl-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-benzyl-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is CC(C)Cn1c(=O)n(C)c(=O)c2cn(Cc3ccccc3)cc21.
What is the InChIKey of 6-benzyl-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is UXSREDZRFQXJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13(2)9-21-16-12-20(10-14-7-5-4-6-8-14)11-15(16)17(22)19(3)18(21)23/h4-8,11-13H,9-10H2,1-3H3.
What are the key properties of 6-benzyl-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
6-benzyl-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 311.38 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 10244955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).