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

C8H12KN2- — CID 164536705

IUPACpotassium;carbanide;2-propan-2-yl-4H-pyrimidin-4-ide
SMILESCC(C)c1n[c-]ccn1.[CH3-].[K+]
InChIInChI=1S/C7H9N2.CH3.K/c1-6(2)7-8-4-3-5-9-7;;/h3-4,6H,1-2H3;1H3;/q2*-1;+1
InChIKeyRNTZONYTYXREQN-UHFFFAOYSA-N
MW175.30 g/mol
LogP-1.15
Rot. Bonds1

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

potassium;carbanide;2-propan-2-yl-4H-pyrimidin-4-ide (PubChem CID 164536705) has the molecular formula C8H12KN2- and a molecular weight of 175.30 g/mol. Its IUPAC name is potassium;carbanide;2-propan-2-yl-4H-pyrimidin-4-ide.

Molecular Properties

Compound Namepotassium;carbanide;2-propan-2-yl-4H-pyrimidin-4-ide
PubChem CID164536705
Molecular FormulaC8H12KN2-
Molecular Weight175.30 g/mol
Exact Mass175.06
IUPAC Namepotassium;carbanide;2-propan-2-yl-4H-pyrimidin-4-ide
SMILESCC(C)c1n[c-]ccn1.[CH3-].[K+]
InChIInChI=1S/C7H9N2.CH3.K/c1-6(2)7-8-4-3-5-9-7;;/h3-4,6H,1-2H3;1H3;/q2*-1;+1
InChIKeyRNTZONYTYXREQN-UHFFFAOYSA-N
XLogP-1.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 5-1.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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;carbanide;2-propan-2-yl-4H-pyrimidin-4-ide?
The IUPAC name of potassium;carbanide;2-propan-2-yl-4H-pyrimidin-4-ide (CID 164536705) is potassium;carbanide;2-propan-2-yl-4H-pyrimidin-4-ide.
What is the SMILES notation for potassium;carbanide;2-propan-2-yl-4H-pyrimidin-4-ide?
The canonical SMILES for potassium;carbanide;2-propan-2-yl-4H-pyrimidin-4-ide is CC(C)c1n[c-]ccn1.[CH3-].[K+].
What is the InChIKey of potassium;carbanide;2-propan-2-yl-4H-pyrimidin-4-ide?
The InChIKey is RNTZONYTYXREQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N2.CH3.K/c1-6(2)7-8-4-3-5-9-7;;/h3-4,6H,1-2H3;1H3;/q2*-1;+1.
What are the key properties of potassium;carbanide;2-propan-2-yl-4H-pyrimidin-4-ide?
potassium;carbanide;2-propan-2-yl-4H-pyrimidin-4-ide has a molecular weight of 175.30 g/mol, XLogP of -1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;carbanide;2-propan-2-yl-4H-pyrimidin-4-ide is sourced from PubChem (CID 164536705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).