3-ethyl-5,6-dimethyl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione

C10H13N3O2 — CID 95915738

IUPAC3-ethyl-5,6-dimethyl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]c2cc(C)n(C)c2c1=O
InChIInChI=1S/C10H13N3O2/c1-4-13-9(14)8-7(11-10(13)15)5-6(2)12(8)3/h5H,4H2,1-3H3,(H,11,15)
InChIKeyRYMHYBOBYBXEIE-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.36
Rot. Bonds1

About 3-ethyl-5,6-dimethyl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione

3-ethyl-5,6-dimethyl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 95915738) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-ethyl-5,6-dimethyl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-5,6-dimethyl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID95915738
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-ethyl-5,6-dimethyl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]c2cc(C)n(C)c2c1=O
InChIInChI=1S/C10H13N3O2/c1-4-13-9(14)8-7(11-10(13)15)5-6(2)12(8)3/h5H,4H2,1-3H3,(H,11,15)
InChIKeyRYMHYBOBYBXEIE-UHFFFAOYSA-N
XLogP0.36
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,6-dimethyl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-ethyl-5,6-dimethyl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione (CID 95915738) is 3-ethyl-5,6-dimethyl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-ethyl-5,6-dimethyl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-ethyl-5,6-dimethyl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione is CCn1c(=O)[nH]c2cc(C)n(C)c2c1=O.
What is the InChIKey of 3-ethyl-5,6-dimethyl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is RYMHYBOBYBXEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-4-13-9(14)8-7(11-10(13)15)5-6(2)12(8)3/h5H,4H2,1-3H3,(H,11,15).
What are the key properties of 3-ethyl-5,6-dimethyl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
3-ethyl-5,6-dimethyl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 207.23 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,6-dimethyl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 95915738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).