potassium;(5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)methanone;hydroxide

C9H9KN3O2- — CID 153470288

IUPACpotassium;(5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)methanone;hydroxide
SMILESCc1cn(C)c2ncnc([C-]=O)c12.[K+].[OH-]
InChIInChI=1S/C9H8N3O.K.H2O/c1-6-3-12(2)9-8(6)7(4-13)10-5-11-9;;/h3,5H,1-2H3;;1H2/q-1;+1;/p-1
InChIKeyGYCXCHIESDNWJA-UHFFFAOYSA-M
MW230.29 g/mol
LogP-2.44
Rot. Bonds1

About potassium;(5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)methanone;hydroxide

potassium;(5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)methanone;hydroxide (PubChem CID 153470288) has the molecular formula C9H9KN3O2- and a molecular weight of 230.29 g/mol. Its IUPAC name is potassium;(5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)methanone;hydroxide.

Molecular Properties

Compound Namepotassium;(5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)methanone;hydroxide
PubChem CID153470288
Molecular FormulaC9H9KN3O2-
Molecular Weight230.29 g/mol
Exact Mass230.03
IUPAC Namepotassium;(5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)methanone;hydroxide
SMILESCc1cn(C)c2ncnc([C-]=O)c12.[K+].[OH-]
InChIInChI=1S/C9H8N3O.K.H2O/c1-6-3-12(2)9-8(6)7(4-13)10-5-11-9;;/h3,5H,1-2H3;;1H2/q-1;+1;/p-1
InChIKeyGYCXCHIESDNWJA-UHFFFAOYSA-M
XLogP-2.44
TPSA77.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-2.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium;(5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)methanone;hydroxide?
The IUPAC name of potassium;(5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)methanone;hydroxide (CID 153470288) is potassium;(5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)methanone;hydroxide.
What is the SMILES notation for potassium;(5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)methanone;hydroxide?
The canonical SMILES for potassium;(5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)methanone;hydroxide is Cc1cn(C)c2ncnc([C-]=O)c12.[K+].[OH-].
What is the InChIKey of potassium;(5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)methanone;hydroxide?
The InChIKey is GYCXCHIESDNWJA-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H8N3O.K.H2O/c1-6-3-12(2)9-8(6)7(4-13)10-5-11-9;;/h3,5H,1-2H3;;1H2/q-1;+1;/p-1.
What are the key properties of potassium;(5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)methanone;hydroxide?
potassium;(5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)methanone;hydroxide has a molecular weight of 230.29 g/mol, XLogP of -2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;(5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)methanone;hydroxide is sourced from PubChem (CID 153470288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).