lithium;2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetic acid;methyl 2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetate;hydroxide

C27H35LiN8O7 — CID 160848158

IUPAClithium;2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetic acid;methyl 2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetate;hydroxide
SMILESCOC(=O)COc1nc(-n2ccnc2)nc(C)c1C(C)C.Cc1nc(-n2ccnc2)nc(OCC(=O)O)c1C(C)C.[Li+].[OH-]
InChIInChI=1S/C14H18N4O3.C13H16N4O3.Li.H2O/c1-9(2)12-10(3)16-14(18-6-5-15-8-18)17-13(12)21-7-11(19)20-4;1-8(2)11-9(3)15-13(17-5-4-14-7-17)16-12(11)20-6-10(18)19;;/h5-6,8-9H,7H2,1-4H3;4-5,7-8H,6H2,1-3H3,(H,18,19);;1H2/q;;+1;/p-1
InChIKeySIXJHHXALGLQQI-UHFFFAOYSA-M
MW590.57 g/mol
LogP0.03
Rot. Bonds10

About lithium;2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetic acid;methyl 2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetate;hydroxide

lithium;2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetic acid;methyl 2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetate;hydroxide (PubChem CID 160848158) has the molecular formula C27H35LiN8O7 and a molecular weight of 590.57 g/mol. Its IUPAC name is lithium;2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetic acid;methyl 2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetate;hydroxide.

Molecular Properties

Compound Namelithium;2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetic acid;methyl 2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetate;hydroxide
PubChem CID160848158
Molecular FormulaC27H35LiN8O7
Molecular Weight590.57 g/mol
Exact Mass590.28
IUPAC Namelithium;2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetic acid;methyl 2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetate;hydroxide
SMILESCOC(=O)COc1nc(-n2ccnc2)nc(C)c1C(C)C.Cc1nc(-n2ccnc2)nc(OCC(=O)O)c1C(C)C.[Li+].[OH-]
InChIInChI=1S/C14H18N4O3.C13H16N4O3.Li.H2O/c1-9(2)12-10(3)16-14(18-6-5-15-8-18)17-13(12)21-7-11(19)20-4;1-8(2)11-9(3)15-13(17-5-4-14-7-17)16-12(11)20-6-10(18)19;;/h5-6,8-9H,7H2,1-4H3;4-5,7-8H,6H2,1-3H3,(H,18,19);;1H2/q;;+1;/p-1
InChIKeySIXJHHXALGLQQI-UHFFFAOYSA-M
XLogP0.03
TPSA199.26 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.57
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze lithium;2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetic acid;methyl 2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetate;hydroxide with MolForge

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Launch Full Analysis

Related Compounds

2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetic acid
CID 157067318
methyl 2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]acetate
CID 62865450
ethyl 2-[4-[2-imidazol-1-yl-6-[(4-methoxyphenyl)methoxy]-5-propan-2-ylpyrimidin-4-yl]pyrazol-1-yl]acetate
CID 135381908
2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
CID 62864217
methyl 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propanoate
CID 80798771
(2-imidazol-1-yl-4-methylpyrimidin-5-yl)methanol
CID 83185080
6-ethyl-2-imidazol-1-ylpyrimidine-4-carboxylic acid
CID 168879393
2-[5-(2-hydroxyethyl)-6-methyl-2-propan-2-ylpyrimidin-4-yl]oxyacetic acid
CID 94077091
2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
CID 80898376
2-[4-(imidazol-1-ylmethyl)phenoxy]acetic acid
CID 12870444
ethyl 2,3-dihydroxy-3-(2-imidazol-1-ylpyrimidin-5-yl)propanoate
CID 171866849
2-(3-oxo-4-propan-2-ylpyrazin-2-yl)oxyacetic acid
CID 114335330

Frequently Asked Questions

What is the IUPAC name of lithium;2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetic acid;methyl 2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetate;hydroxide?
The IUPAC name of lithium;2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetic acid;methyl 2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetate;hydroxide (CID 160848158) is lithium;2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetic acid;methyl 2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetate;hydroxide.
What is the SMILES notation for lithium;2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetic acid;methyl 2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetate;hydroxide?
The canonical SMILES for lithium;2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetic acid;methyl 2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetate;hydroxide is COC(=O)COc1nc(-n2ccnc2)nc(C)c1C(C)C.Cc1nc(-n2ccnc2)nc(OCC(=O)O)c1C(C)C.[Li+].[OH-].
What is the InChIKey of lithium;2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetic acid;methyl 2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetate;hydroxide?
The InChIKey is SIXJHHXALGLQQI-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H18N4O3.C13H16N4O3.Li.H2O/c1-9(2)12-10(3)16-14(18-6-5-15-8-18)17-13(12)21-7-11(19)20-4;1-8(2)11-9(3)15-13(17-5-4-14-7-17)16-12(11)20-6-10(18)19;;/h5-6,8-9H,7H2,1-4H3;4-5,7-8H,6H2,1-3H3,(H,18,19);;1H2/q;;+1;/p-1.
What are the key properties of lithium;2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetic acid;methyl 2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetate;hydroxide?
lithium;2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetic acid;methyl 2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetate;hydroxide has a molecular weight of 590.57 g/mol, XLogP of 0.03, 10 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetic acid;methyl 2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetate;hydroxide is sourced from PubChem (CID 160848158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).