7-(1-methyl-6-oxo-2-pyridinyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one

C12H10N4O2 — CID 175735566

IUPAC7-(1-methyl-6-oxo-2-pyridinyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCn1c(-n2ccc3c(=O)[nH]cnc32)cccc1=O
InChIInChI=1S/C12H10N4O2/c1-15-9(3-2-4-10(15)17)16-6-5-8-11(16)13-7-14-12(8)18/h2-7H,1H3,(H,13,14,18)
InChIKeyOCHOOXWSGSXBOS-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.41
Rot. Bonds1

About 7-(1-methyl-6-oxo-2-pyridinyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one

7-(1-methyl-6-oxo-2-pyridinyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 175735566) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 7-(1-methyl-6-oxo-2-pyridinyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(1-methyl-6-oxo-2-pyridinyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID175735566
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name7-(1-methyl-6-oxo-2-pyridinyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCn1c(-n2ccc3c(=O)[nH]cnc32)cccc1=O
InChIInChI=1S/C12H10N4O2/c1-15-9(3-2-4-10(15)17)16-6-5-8-11(16)13-7-14-12(8)18/h2-7H,1H3,(H,13,14,18)
InChIKeyOCHOOXWSGSXBOS-UHFFFAOYSA-N
XLogP0.41
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(1-methyl-6-oxo-2-pyridinyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 7-(1-methyl-6-oxo-2-pyridinyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 175735566) is 7-(1-methyl-6-oxo-2-pyridinyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-(1-methyl-6-oxo-2-pyridinyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 7-(1-methyl-6-oxo-2-pyridinyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one is Cn1c(-n2ccc3c(=O)[nH]cnc32)cccc1=O.
What is the InChIKey of 7-(1-methyl-6-oxo-2-pyridinyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is OCHOOXWSGSXBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-15-9(3-2-4-10(15)17)16-6-5-8-11(16)13-7-14-12(8)18/h2-7H,1H3,(H,13,14,18).
What are the key properties of 7-(1-methyl-6-oxo-2-pyridinyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one?
7-(1-methyl-6-oxo-2-pyridinyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 242.24 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methyl-6-oxo-2-pyridinyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 175735566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).