6-[(E)-2-(6-amino-2-pyridinyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione

C16H17N5O2 — CID 71563173

IUPAC6-[(E)-2-(6-amino-2-pyridinyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(cc(/C=C/c3cccc(N)n3)n2C)n(C)c1=O
InChIInChI=1S/C16H17N5O2/c1-19-11(8-7-10-5-4-6-13(17)18-10)9-12-14(19)15(22)21(3)16(23)20(12)2/h4-9H,1-3H3,(H2,17,18)/b8-7+
InChIKeyACPTZWYCGODGER-BQYQJAHWSA-N
MW311.35 g/mol
LogP0.72
Rot. Bonds2

About 6-[(E)-2-(6-amino-2-pyridinyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione

6-[(E)-2-(6-amino-2-pyridinyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 71563173) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 6-[(E)-2-(6-amino-2-pyridinyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(E)-2-(6-amino-2-pyridinyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID71563173
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name6-[(E)-2-(6-amino-2-pyridinyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(cc(/C=C/c3cccc(N)n3)n2C)n(C)c1=O
InChIInChI=1S/C16H17N5O2/c1-19-11(8-7-10-5-4-6-13(17)18-10)9-12-14(19)15(22)21(3)16(23)20(12)2/h4-9H,1-3H3,(H2,17,18)/b8-7+
InChIKeyACPTZWYCGODGER-BQYQJAHWSA-N
XLogP0.72
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(6-amino-2-pyridinyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 6-[(E)-2-(6-amino-2-pyridinyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione (CID 71563173) is 6-[(E)-2-(6-amino-2-pyridinyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(E)-2-(6-amino-2-pyridinyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-[(E)-2-(6-amino-2-pyridinyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(cc(/C=C/c3cccc(N)n3)n2C)n(C)c1=O.
What is the InChIKey of 6-[(E)-2-(6-amino-2-pyridinyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is ACPTZWYCGODGER-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-19-11(8-7-10-5-4-6-13(17)18-10)9-12-14(19)15(22)21(3)16(23)20(12)2/h4-9H,1-3H3,(H2,17,18)/b8-7+.
What are the key properties of 6-[(E)-2-(6-amino-2-pyridinyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione?
6-[(E)-2-(6-amino-2-pyridinyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 311.35 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-(6-amino-2-pyridinyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 71563173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).