lithium;2-(dimethylamino)-6-(5-methylfuran-2-yl)pyrimidine-4-carboxylic acid;hydride

C12H14LiN3O3 — CID 173024484

IUPAClithium;2-(dimethylamino)-6-(5-methylfuran-2-yl)pyrimidine-4-carboxylic acid;hydride
SMILESCc1ccc(-c2cc(C(=O)O)nc(N(C)C)n2)o1.[H-].[Li+]
InChIInChI=1S/C12H13N3O3.Li.H/c1-7-4-5-10(18-7)8-6-9(11(16)17)14-12(13-8)15(2)3;;/h4-6H,1-3H3,(H,16,17);;/q;+1;-1
InChIKeyHMEAEFSUPIYCFN-UHFFFAOYSA-N
MW255.20 g/mol
LogP-1.07
Rot. Bonds3

About lithium;2-(dimethylamino)-6-(5-methylfuran-2-yl)pyrimidine-4-carboxylic acid;hydride

lithium;2-(dimethylamino)-6-(5-methylfuran-2-yl)pyrimidine-4-carboxylic acid;hydride (PubChem CID 173024484) has the molecular formula C12H14LiN3O3 and a molecular weight of 255.20 g/mol. Its IUPAC name is lithium;2-(dimethylamino)-6-(5-methylfuran-2-yl)pyrimidine-4-carboxylic acid;hydride.

Molecular Properties

Compound Namelithium;2-(dimethylamino)-6-(5-methylfuran-2-yl)pyrimidine-4-carboxylic acid;hydride
PubChem CID173024484
Molecular FormulaC12H14LiN3O3
Molecular Weight255.20 g/mol
Exact Mass255.12
IUPAC Namelithium;2-(dimethylamino)-6-(5-methylfuran-2-yl)pyrimidine-4-carboxylic acid;hydride
SMILESCc1ccc(-c2cc(C(=O)O)nc(N(C)C)n2)o1.[H-].[Li+]
InChIInChI=1S/C12H13N3O3.Li.H/c1-7-4-5-10(18-7)8-6-9(11(16)17)14-12(13-8)15(2)3;;/h4-6H,1-3H3,(H,16,17);;/q;+1;-1
InChIKeyHMEAEFSUPIYCFN-UHFFFAOYSA-N
XLogP-1.07
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of lithium;2-(dimethylamino)-6-(5-methylfuran-2-yl)pyrimidine-4-carboxylic acid;hydride?
The IUPAC name of lithium;2-(dimethylamino)-6-(5-methylfuran-2-yl)pyrimidine-4-carboxylic acid;hydride (CID 173024484) is lithium;2-(dimethylamino)-6-(5-methylfuran-2-yl)pyrimidine-4-carboxylic acid;hydride.
What is the SMILES notation for lithium;2-(dimethylamino)-6-(5-methylfuran-2-yl)pyrimidine-4-carboxylic acid;hydride?
The canonical SMILES for lithium;2-(dimethylamino)-6-(5-methylfuran-2-yl)pyrimidine-4-carboxylic acid;hydride is Cc1ccc(-c2cc(C(=O)O)nc(N(C)C)n2)o1.[H-].[Li+].
What is the InChIKey of lithium;2-(dimethylamino)-6-(5-methylfuran-2-yl)pyrimidine-4-carboxylic acid;hydride?
The InChIKey is HMEAEFSUPIYCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3.Li.H/c1-7-4-5-10(18-7)8-6-9(11(16)17)14-12(13-8)15(2)3;;/h4-6H,1-3H3,(H,16,17);;/q;+1;-1.
What are the key properties of lithium;2-(dimethylamino)-6-(5-methylfuran-2-yl)pyrimidine-4-carboxylic acid;hydride?
lithium;2-(dimethylamino)-6-(5-methylfuran-2-yl)pyrimidine-4-carboxylic acid;hydride has a molecular weight of 255.20 g/mol, XLogP of -1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-(dimethylamino)-6-(5-methylfuran-2-yl)pyrimidine-4-carboxylic acid;hydride is sourced from PubChem (CID 173024484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).