2-methyl-5-pyrimidin-2-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

C11H9N5O — CID 121387131

IUPAC2-methyl-5-pyrimidin-2-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1ncc2c(n1)NC(=O)C2c1ncccn1
InChIInChI=1S/C11H9N5O/c1-6-14-5-7-8(10-12-3-2-4-13-10)11(17)16-9(7)15-6/h2-5,8H,1H3,(H,14,15,16,17)
InChIKeyKMQXMOJTKBMDKQ-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.66
Rot. Bonds1

About 2-methyl-5-pyrimidin-2-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

2-methyl-5-pyrimidin-2-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 121387131) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-methyl-5-pyrimidin-2-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-5-pyrimidin-2-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
PubChem CID121387131
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name2-methyl-5-pyrimidin-2-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1ncc2c(n1)NC(=O)C2c1ncccn1
InChIInChI=1S/C11H9N5O/c1-6-14-5-7-8(10-12-3-2-4-13-10)11(17)16-9(7)15-6/h2-5,8H,1H3,(H,14,15,16,17)
InChIKeyKMQXMOJTKBMDKQ-UHFFFAOYSA-N
XLogP0.66
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pyrimidin-2-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 2-methyl-5-pyrimidin-2-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (CID 121387131) is 2-methyl-5-pyrimidin-2-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 2-methyl-5-pyrimidin-2-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 2-methyl-5-pyrimidin-2-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is Cc1ncc2c(n1)NC(=O)C2c1ncccn1.
What is the InChIKey of 2-methyl-5-pyrimidin-2-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is KMQXMOJTKBMDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c1-6-14-5-7-8(10-12-3-2-4-13-10)11(17)16-9(7)15-6/h2-5,8H,1H3,(H,14,15,16,17).
What are the key properties of 2-methyl-5-pyrimidin-2-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
2-methyl-5-pyrimidin-2-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 227.23 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pyrimidin-2-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 121387131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).