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

C8H9N3O — CID 118005067

IUPAC3,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one
SMILESCc1cc2cn(C)c(=O)nc2[nH]1
InChIInChI=1S/C8H9N3O/c1-5-3-6-4-11(2)8(12)10-7(6)9-5/h3-4H,1-2H3,(H,9,10,12)
InChIKeyPYZUQMFIGHVTTD-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.57
Rot. Bonds

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

3,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one (PubChem CID 118005067) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 3,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name3,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one
PubChem CID118005067
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name3,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one
SMILESCc1cc2cn(C)c(=O)nc2[nH]1
InChIInChI=1S/C8H9N3O/c1-5-3-6-4-11(2)8(12)10-7(6)9-5/h3-4H,1-2H3,(H,9,10,12)
InChIKeyPYZUQMFIGHVTTD-UHFFFAOYSA-N
XLogP0.57
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The IUPAC name of 3,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one (CID 118005067) is 3,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 3,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 3,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one is Cc1cc2cn(C)c(=O)nc2[nH]1.
What is the InChIKey of 3,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The InChIKey is PYZUQMFIGHVTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-5-3-6-4-11(2)8(12)10-7(6)9-5/h3-4H,1-2H3,(H,9,10,12).
What are the key properties of 3,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
3,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one has a molecular weight of 163.18 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 118005067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).