3,7-dimethyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione

C23H25N3O2 — CID 10248894

IUPAC3,7-dimethyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCc1c2c(cn1Cc1cccc3ccccc13)c(=O)n(C)c(=O)n2CC(C)C
InChIInChI=1S/C23H25N3O2/c1-15(2)12-26-21-16(3)25(14-20(21)22(27)24(4)23(26)28)13-18-10-7-9-17-8-5-6-11-19(17)18/h5-11,14-15H,12-13H2,1-4H3
InChIKeyLJNZPIKVLMVMOX-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.67
Rot. Bonds4

About 3,7-dimethyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione

3,7-dimethyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 10248894) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 3,7-dimethyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3,7-dimethyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID10248894
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name3,7-dimethyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCc1c2c(cn1Cc1cccc3ccccc13)c(=O)n(C)c(=O)n2CC(C)C
InChIInChI=1S/C23H25N3O2/c1-15(2)12-26-21-16(3)25(14-20(21)22(27)24(4)23(26)28)13-18-10-7-9-17-8-5-6-11-19(17)18/h5-11,14-15H,12-13H2,1-4H3
InChIKeyLJNZPIKVLMVMOX-UHFFFAOYSA-N
XLogP3.67
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 3,7-dimethyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (CID 10248894) is 3,7-dimethyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3,7-dimethyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 3,7-dimethyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is Cc1c2c(cn1Cc1cccc3ccccc13)c(=O)n(C)c(=O)n2CC(C)C.
What is the InChIKey of 3,7-dimethyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is LJNZPIKVLMVMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15(2)12-26-21-16(3)25(14-20(21)22(27)24(4)23(26)28)13-18-10-7-9-17-8-5-6-11-19(17)18/h5-11,14-15H,12-13H2,1-4H3.
What are the key properties of 3,7-dimethyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
3,7-dimethyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 375.47 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1-(2-methylpropyl)-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 10248894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).