potassium 1,3,5-trimethyl-2,6-dioxopyrimidin-4-olate

C7H9KN2O3 — CID 68874576

IUPACpotassium 1,3,5-trimethyl-2,6-dioxopyrimidin-4-olate
SMILESCc1c([O-])n(C)c(=O)n(C)c1=O.[K+]
InChIInChI=1S/C7H10N2O3.K/c1-4-5(10)8(2)7(12)9(3)6(4)11;/h10H,1-3H3;/q;+1/p-1
InChIKeyINLDSNJIYQZAJP-UHFFFAOYSA-M
MW208.26 g/mol
LogP-4.53
Rot. Bonds

About potassium 1,3,5-trimethyl-2,6-dioxopyrimidin-4-olate

potassium 1,3,5-trimethyl-2,6-dioxopyrimidin-4-olate (PubChem CID 68874576) has the molecular formula C7H9KN2O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is potassium 1,3,5-trimethyl-2,6-dioxopyrimidin-4-olate.

Molecular Properties

Compound Namepotassium 1,3,5-trimethyl-2,6-dioxopyrimidin-4-olate
PubChem CID68874576
Molecular FormulaC7H9KN2O3
Molecular Weight208.26 g/mol
Exact Mass208.03
IUPAC Namepotassium 1,3,5-trimethyl-2,6-dioxopyrimidin-4-olate
SMILESCc1c([O-])n(C)c(=O)n(C)c1=O.[K+]
InChIInChI=1S/C7H10N2O3.K/c1-4-5(10)8(2)7(12)9(3)6(4)11;/h10H,1-3H3;/q;+1/p-1
InChIKeyINLDSNJIYQZAJP-UHFFFAOYSA-M
XLogP-4.53
TPSA67.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-4.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of potassium 1,3,5-trimethyl-2,6-dioxopyrimidin-4-olate?
The IUPAC name of potassium 1,3,5-trimethyl-2,6-dioxopyrimidin-4-olate (CID 68874576) is potassium 1,3,5-trimethyl-2,6-dioxopyrimidin-4-olate.
What is the SMILES notation for potassium 1,3,5-trimethyl-2,6-dioxopyrimidin-4-olate?
The canonical SMILES for potassium 1,3,5-trimethyl-2,6-dioxopyrimidin-4-olate is Cc1c([O-])n(C)c(=O)n(C)c1=O.[K+].
What is the InChIKey of potassium 1,3,5-trimethyl-2,6-dioxopyrimidin-4-olate?
The InChIKey is INLDSNJIYQZAJP-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H10N2O3.K/c1-4-5(10)8(2)7(12)9(3)6(4)11;/h10H,1-3H3;/q;+1/p-1.
What are the key properties of potassium 1,3,5-trimethyl-2,6-dioxopyrimidin-4-olate?
potassium 1,3,5-trimethyl-2,6-dioxopyrimidin-4-olate has a molecular weight of 208.26 g/mol, XLogP of -4.53, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,3,5-trimethyl-2,6-dioxopyrimidin-4-olate is sourced from PubChem (CID 68874576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).