3,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one

C9H11N3O — CID 118005109

IUPAC3,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one
SMILESCc1[nH]c2nc(=O)n(C)cc2c1C
InChIInChI=1S/C9H11N3O/c1-5-6(2)10-8-7(5)4-12(3)9(13)11-8/h4H,1-3H3,(H,10,11,13)
InChIKeyQUFQYYZBYWMFBT-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.88
Rot. Bonds

About 3,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one

3,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one (PubChem CID 118005109) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 3,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name3,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one
PubChem CID118005109
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name3,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one
SMILESCc1[nH]c2nc(=O)n(C)cc2c1C
InChIInChI=1S/C9H11N3O/c1-5-6(2)10-8-7(5)4-12(3)9(13)11-8/h4H,1-3H3,(H,10,11,13)
InChIKeyQUFQYYZBYWMFBT-UHFFFAOYSA-N
XLogP0.88
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The IUPAC name of 3,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one (CID 118005109) is 3,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 3,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 3,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one is Cc1[nH]c2nc(=O)n(C)cc2c1C.
What is the InChIKey of 3,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The InChIKey is QUFQYYZBYWMFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-5-6(2)10-8-7(5)4-12(3)9(13)11-8/h4H,1-3H3,(H,10,11,13).
What are the key properties of 3,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
3,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one has a molecular weight of 177.21 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 118005109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).