6-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione

C15H15N5O2 — CID 167913652

IUPAC6-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCc1cccc2nc(CN3Cc4[nH]c(=O)[nH]c(=O)c4C3)cn12
InChIInChI=1S/C15H15N5O2/c1-9-3-2-4-13-16-10(6-20(9)13)5-19-7-11-12(8-19)17-15(22)18-14(11)21/h2-4,6H,5,7-8H2,1H3,(H2,17,18,21,22)
InChIKeyJQNYGTDFXNJUQF-UHFFFAOYSA-N
MW297.32 g/mol
LogP0.54
Rot. Bonds2

About 6-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione

6-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 167913652) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 6-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID167913652
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name6-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCc1cccc2nc(CN3Cc4[nH]c(=O)[nH]c(=O)c4C3)cn12
InChIInChI=1S/C15H15N5O2/c1-9-3-2-4-13-16-10(6-20(9)13)5-19-7-11-12(8-19)17-15(22)18-14(11)21/h2-4,6H,5,7-8H2,1H3,(H2,17,18,21,22)
InChIKeyJQNYGTDFXNJUQF-UHFFFAOYSA-N
XLogP0.54
TPSA86.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 6-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione (CID 167913652) is 6-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione is Cc1cccc2nc(CN3Cc4[nH]c(=O)[nH]c(=O)c4C3)cn12.
What is the InChIKey of 6-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is JQNYGTDFXNJUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-9-3-2-4-13-16-10(6-20(9)13)5-19-7-11-12(8-19)17-15(22)18-14(11)21/h2-4,6H,5,7-8H2,1H3,(H2,17,18,21,22).
What are the key properties of 6-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione?
6-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 297.32 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 167913652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).