potassium;5-(3-carboxycyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid;hydride

C12H15KN2O6 — CID 173433320

IUPACpotassium;5-(3-carboxycyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid;hydride
SMILESO=C(O)c1[nH]c(=O)[nH]c(=O)c1C1CCCC(C(=O)O)C1.[H-].[K+]
InChIInChI=1S/C12H14N2O6.K.H/c15-9-7(8(11(18)19)13-12(20)14-9)5-2-1-3-6(4-5)10(16)17;;/h5-6H,1-4H2,(H,16,17)(H,18,19)(H2,13,14,15,20);;/q;+1;-1
InChIKeyXAGXJTLIZHHQGI-UHFFFAOYSA-N
MW322.36 g/mol
LogP-2.76
Rot. Bonds3

About potassium;5-(3-carboxycyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid;hydride

potassium;5-(3-carboxycyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid;hydride (PubChem CID 173433320) has the molecular formula C12H15KN2O6 and a molecular weight of 322.36 g/mol. Its IUPAC name is potassium;5-(3-carboxycyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid;hydride.

Molecular Properties

Compound Namepotassium;5-(3-carboxycyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid;hydride
PubChem CID173433320
Molecular FormulaC12H15KN2O6
Molecular Weight322.36 g/mol
Exact Mass322.06
IUPAC Namepotassium;5-(3-carboxycyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid;hydride
SMILESO=C(O)c1[nH]c(=O)[nH]c(=O)c1C1CCCC(C(=O)O)C1.[H-].[K+]
InChIInChI=1S/C12H14N2O6.K.H/c15-9-7(8(11(18)19)13-12(20)14-9)5-2-1-3-6(4-5)10(16)17;;/h5-6H,1-4H2,(H,16,17)(H,18,19)(H2,13,14,15,20);;/q;+1;-1
InChIKeyXAGXJTLIZHHQGI-UHFFFAOYSA-N
XLogP-2.76
TPSA140.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 5-2.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of potassium;5-(3-carboxycyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid;hydride?
The IUPAC name of potassium;5-(3-carboxycyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid;hydride (CID 173433320) is potassium;5-(3-carboxycyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid;hydride.
What is the SMILES notation for potassium;5-(3-carboxycyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid;hydride?
The canonical SMILES for potassium;5-(3-carboxycyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid;hydride is O=C(O)c1[nH]c(=O)[nH]c(=O)c1C1CCCC(C(=O)O)C1.[H-].[K+].
What is the InChIKey of potassium;5-(3-carboxycyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid;hydride?
The InChIKey is XAGXJTLIZHHQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O6.K.H/c15-9-7(8(11(18)19)13-12(20)14-9)5-2-1-3-6(4-5)10(16)17;;/h5-6H,1-4H2,(H,16,17)(H,18,19)(H2,13,14,15,20);;/q;+1;-1.
What are the key properties of potassium;5-(3-carboxycyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid;hydride?
potassium;5-(3-carboxycyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid;hydride has a molecular weight of 322.36 g/mol, XLogP of -2.76, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;5-(3-carboxycyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid;hydride is sourced from PubChem (CID 173433320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).