potassium 4-propan-2-yl-2H-pyrimidin-2-ide

C7H9KN2 — CID 164869857

IUPACpotassium 4-propan-2-yl-2H-pyrimidin-2-ide
SMILESCC(C)c1ccn[c-]n1.[K+]
InChIInChI=1S/C7H9N2.K/c1-6(2)7-3-4-8-5-9-7;/h3-4,6H,1-2H3;/q-1;+1
InChIKeyZLBWHYVVBUVKBI-UHFFFAOYSA-N
MW160.26 g/mol
LogP-1.60
Rot. Bonds1

About potassium 4-propan-2-yl-2H-pyrimidin-2-ide

potassium 4-propan-2-yl-2H-pyrimidin-2-ide (PubChem CID 164869857) has the molecular formula C7H9KN2 and a molecular weight of 160.26 g/mol. Its IUPAC name is potassium 4-propan-2-yl-2H-pyrimidin-2-ide.

Molecular Properties

Compound Namepotassium 4-propan-2-yl-2H-pyrimidin-2-ide
PubChem CID164869857
Molecular FormulaC7H9KN2
Molecular Weight160.26 g/mol
Exact Mass160.04
IUPAC Namepotassium 4-propan-2-yl-2H-pyrimidin-2-ide
SMILESCC(C)c1ccn[c-]n1.[K+]
InChIInChI=1S/C7H9N2.K/c1-6(2)7-3-4-8-5-9-7;/h3-4,6H,1-2H3;/q-1;+1
InChIKeyZLBWHYVVBUVKBI-UHFFFAOYSA-N
XLogP-1.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 5-1.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze potassium 4-propan-2-yl-2H-pyrimidin-2-ide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-4-propan-2-ylpyrimidin-2-amine
CID 10820941
ethane;2-methylpropane;2-propan-2-ylpyridine
CID 160963174
2-deuterio-4-propan-2-ylpyridine
CID 175918465
ethane;2-ethyl-4-propan-2-ylpyrimidine
CID 154681512
cumene;ethane;2-propan-2-ylpyridine
CID 160627938
1-(4-propan-2-ylpyrimidin-2-yl)propan-2-amine
CID 63318928
2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine
CID 158889204
ethane;2-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 159031608
(1R)-1-(5-chloro-2-pyridinyl)ethanol
CID 75356463
4-fluoro-2-propan-2-ylpyridine;methane
CID 162074293
potassium;carbanide;2-propan-2-yl-4H-pyrimidin-4-ide
CID 164536705
methane;2-propan-2-ylquinoline
CID 161334581

Frequently Asked Questions

What is the IUPAC name of potassium 4-propan-2-yl-2H-pyrimidin-2-ide?
The IUPAC name of potassium 4-propan-2-yl-2H-pyrimidin-2-ide (CID 164869857) is potassium 4-propan-2-yl-2H-pyrimidin-2-ide.
What is the SMILES notation for potassium 4-propan-2-yl-2H-pyrimidin-2-ide?
The canonical SMILES for potassium 4-propan-2-yl-2H-pyrimidin-2-ide is CC(C)c1ccn[c-]n1.[K+].
What is the InChIKey of potassium 4-propan-2-yl-2H-pyrimidin-2-ide?
The InChIKey is ZLBWHYVVBUVKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N2.K/c1-6(2)7-3-4-8-5-9-7;/h3-4,6H,1-2H3;/q-1;+1.
What are the key properties of potassium 4-propan-2-yl-2H-pyrimidin-2-ide?
potassium 4-propan-2-yl-2H-pyrimidin-2-ide has a molecular weight of 160.26 g/mol, XLogP of -1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-propan-2-yl-2H-pyrimidin-2-ide is sourced from PubChem (CID 164869857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).