lithium;2-fluoro-4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzoic acid;hydride

C18H18F2LiN5O2 — CID 173083328

IUPAClithium;2-fluoro-4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzoic acid;hydride
SMILESCc1ncc(-c2nc(Nc3ccc(C(=O)O)c(F)c3)ncc2F)n1C(C)C.[H-].[Li+]
InChIInChI=1S/C18H17F2N5O2.Li.H/c1-9(2)25-10(3)21-8-15(25)16-14(20)7-22-18(24-16)23-11-4-5-12(17(26)27)13(19)6-11;;/h4-9H,1-3H3,(H,26,27)(H,22,23,24);;/q;+1;-1
InChIKeyQCKAYWIFTJPJSV-UHFFFAOYSA-N
MW381.31 g/mol
LogP1.07
Rot. Bonds5

About lithium;2-fluoro-4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzoic acid;hydride

lithium;2-fluoro-4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzoic acid;hydride (PubChem CID 173083328) has the molecular formula C18H18F2LiN5O2 and a molecular weight of 381.31 g/mol. Its IUPAC name is lithium;2-fluoro-4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzoic acid;hydride.

Molecular Properties

Compound Namelithium;2-fluoro-4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzoic acid;hydride
PubChem CID173083328
Molecular FormulaC18H18F2LiN5O2
Molecular Weight381.31 g/mol
Exact Mass381.16
IUPAC Namelithium;2-fluoro-4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzoic acid;hydride
SMILESCc1ncc(-c2nc(Nc3ccc(C(=O)O)c(F)c3)ncc2F)n1C(C)C.[H-].[Li+]
InChIInChI=1S/C18H17F2N5O2.Li.H/c1-9(2)25-10(3)21-8-15(25)16-14(20)7-22-18(24-16)23-11-4-5-12(17(26)27)13(19)6-11;;/h4-9H,1-3H3,(H,26,27)(H,22,23,24);;/q;+1;-1
InChIKeyQCKAYWIFTJPJSV-UHFFFAOYSA-N
XLogP1.07
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

1-[4-[2-fluoro-4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone
CID 11396903
1-[4-[4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-2-methylphenyl]piperazin-1-yl]ethanone
CID 68686334
6-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid
CID 68974270
5-fluoro-N-(3-fluoro-4-morpholin-4-ylphenyl)-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine
CID 68687886
4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 11518075
[4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone
CID 67037200
5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine;[4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 159560710
N-[4-[(4-cyclobutyl-1,4-diazepan-1-yl)methyl]phenyl]-5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine
CID 123533437
4-[(4,6-dimethylpyrimidin-2-yl)amino]-2-fluorobenzoic acid
CID 114002149
[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-5-phosphanylpyrimidin-2-yl]amino]phenyl]-phenylmethanone
CID 143435129
4-[4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpiperidine-1-carboxylic acid
CID 91381147
2-fluoro-4-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzamide
CID 139390139

Frequently Asked Questions

What is the IUPAC name of lithium;2-fluoro-4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzoic acid;hydride?
The IUPAC name of lithium;2-fluoro-4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzoic acid;hydride (CID 173083328) is lithium;2-fluoro-4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzoic acid;hydride.
What is the SMILES notation for lithium;2-fluoro-4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzoic acid;hydride?
The canonical SMILES for lithium;2-fluoro-4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzoic acid;hydride is Cc1ncc(-c2nc(Nc3ccc(C(=O)O)c(F)c3)ncc2F)n1C(C)C.[H-].[Li+].
What is the InChIKey of lithium;2-fluoro-4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzoic acid;hydride?
The InChIKey is QCKAYWIFTJPJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O2.Li.H/c1-9(2)25-10(3)21-8-15(25)16-14(20)7-22-18(24-16)23-11-4-5-12(17(26)27)13(19)6-11;;/h4-9H,1-3H3,(H,26,27)(H,22,23,24);;/q;+1;-1.
What are the key properties of lithium;2-fluoro-4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzoic acid;hydride?
lithium;2-fluoro-4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzoic acid;hydride has a molecular weight of 381.31 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-fluoro-4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzoic acid;hydride is sourced from PubChem (CID 173083328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).