5,6-dimethyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one

C11H15N3O — CID 122543797

IUPAC5,6-dimethyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one
SMILESCc1[nH]c2nc(=O)n(C(C)C)cc2c1C
InChIInChI=1S/C11H15N3O/c1-6(2)14-5-9-7(3)8(4)12-10(9)13-11(14)15/h5-6H,1-4H3,(H,12,13,15)
InChIKeyFMQXWAHOLURZJU-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.92
Rot. Bonds1

About 5,6-dimethyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one

5,6-dimethyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one (PubChem CID 122543797) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 5,6-dimethyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name5,6-dimethyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one
PubChem CID122543797
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name5,6-dimethyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one
SMILESCc1[nH]c2nc(=O)n(C(C)C)cc2c1C
InChIInChI=1S/C11H15N3O/c1-6(2)14-5-9-7(3)8(4)12-10(9)13-11(14)15/h5-6H,1-4H3,(H,12,13,15)
InChIKeyFMQXWAHOLURZJU-UHFFFAOYSA-N
XLogP1.92
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The IUPAC name of 5,6-dimethyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one (CID 122543797) is 5,6-dimethyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 5,6-dimethyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 5,6-dimethyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one is Cc1[nH]c2nc(=O)n(C(C)C)cc2c1C.
What is the InChIKey of 5,6-dimethyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The InChIKey is FMQXWAHOLURZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-6(2)14-5-9-7(3)8(4)12-10(9)13-11(14)15/h5-6H,1-4H3,(H,12,13,15).
What are the key properties of 5,6-dimethyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
5,6-dimethyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 122543797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).