2,6-dimethyl-3-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one

C12H17N3O — CID 110429628

IUPAC2,6-dimethyl-3-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1cc2c(=O)n(CC(C)C)c(C)nc2[nH]1
InChIInChI=1S/C12H17N3O/c1-7(2)6-15-9(4)14-11-10(12(15)16)5-8(3)13-11/h5,7,13H,6H2,1-4H3
InChIKeyURZQMSAGOVGSIL-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.00
Rot. Bonds2

About 2,6-dimethyl-3-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one

2,6-dimethyl-3-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 110429628) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2,6-dimethyl-3-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID110429628
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2,6-dimethyl-3-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1cc2c(=O)n(CC(C)C)c(C)nc2[nH]1
InChIInChI=1S/C12H17N3O/c1-7(2)6-15-9(4)14-11-10(12(15)16)5-8(3)13-11/h5,7,13H,6H2,1-4H3
InChIKeyURZQMSAGOVGSIL-UHFFFAOYSA-N
XLogP2.00
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-3-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one (CID 110429628) is 2,6-dimethyl-3-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-3-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one is Cc1cc2c(=O)n(CC(C)C)c(C)nc2[nH]1.
What is the InChIKey of 2,6-dimethyl-3-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is URZQMSAGOVGSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-7(2)6-15-9(4)14-11-10(12(15)16)5-8(3)13-11/h5,7,13H,6H2,1-4H3.
What are the key properties of 2,6-dimethyl-3-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one?
2,6-dimethyl-3-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 219.29 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 110429628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).