lithium;alumane;hydride;(4-methoxypyrimidin-5-yl)methanol;methyl 4-methoxypyrimidine-5-carboxylate

C13H20AlLiN4O5 — CID 161326129

IUPAClithium;alumane;hydride;(4-methoxypyrimidin-5-yl)methanol;methyl 4-methoxypyrimidine-5-carboxylate
SMILESCOC(=O)c1cncnc1OC.COc1ncncc1CO.[AlH3].[H-].[Li+]
InChIInChI=1S/C7H8N2O3.C6H8N2O2.Al.Li.4H/c1-11-6-5(7(10)12-2)3-8-4-9-6;1-10-6-5(3-9)2-7-4-8-6;;;;;;/h3-4H,1-2H3;2,4,9H,3H2,1H3;;;;;;/q;;;+1;;;;-1
InChIKeyLMKJWMNWNSBGKH-UHFFFAOYSA-N
MW346.25 g/mol
LogP-3.82
Rot. Bonds4

About lithium;alumane;hydride;(4-methoxypyrimidin-5-yl)methanol;methyl 4-methoxypyrimidine-5-carboxylate

lithium;alumane;hydride;(4-methoxypyrimidin-5-yl)methanol;methyl 4-methoxypyrimidine-5-carboxylate (PubChem CID 161326129) has the molecular formula C13H20AlLiN4O5 and a molecular weight of 346.25 g/mol. Its IUPAC name is lithium;alumane;hydride;(4-methoxypyrimidin-5-yl)methanol;methyl 4-methoxypyrimidine-5-carboxylate.

Molecular Properties

Compound Namelithium;alumane;hydride;(4-methoxypyrimidin-5-yl)methanol;methyl 4-methoxypyrimidine-5-carboxylate
PubChem CID161326129
Molecular FormulaC13H20AlLiN4O5
Molecular Weight346.25 g/mol
Exact Mass346.14
IUPAC Namelithium;alumane;hydride;(4-methoxypyrimidin-5-yl)methanol;methyl 4-methoxypyrimidine-5-carboxylate
SMILESCOC(=O)c1cncnc1OC.COc1ncncc1CO.[AlH3].[H-].[Li+]
InChIInChI=1S/C7H8N2O3.C6H8N2O2.Al.Li.4H/c1-11-6-5(7(10)12-2)3-8-4-9-6;1-10-6-5(3-9)2-7-4-8-6;;;;;;/h3-4H,1-2H3;2,4,9H,3H2,1H3;;;;;;/q;;;+1;;;;-1
InChIKeyLMKJWMNWNSBGKH-UHFFFAOYSA-N
XLogP-3.82
TPSA116.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.25
LogP ≤ 5-3.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze lithium;alumane;hydride;(4-methoxypyrimidin-5-yl)methanol;methyl 4-methoxypyrimidine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

3-(4-methoxypyrimidin-5-yl)propanoic acid
CID 82654769
methyl 4-[(4-bromophenyl)methoxy]pyrimidine-5-carboxylate
CID 114213931
5-(hydroperoxymethyl)-4-methoxypyrimidine
CID 155649595
methyl 4-(2-fluorophenoxy)pyrimidine-5-carboxylate
CID 114213821
methyl 4-methylsulfanylpyrimidine-5-carboxylate
CID 130484620
methyl 4-[(3-methoxy-1,2-thiazol-4-yl)methyl-methylamino]pyrimidine-5-carboxylate
CID 136571606
[4-(3-methoxycyclohexyl)oxypyrimidin-5-yl]methanol
CID 114215313
methyl 2-methoxy-5-methylpyridine-3-carboxylate
CID 22678367
methyl 2-chloro-4-methoxypyrimidine-5-carboxylate
CID 71741355
methyl 4-(4-methylsulfonylpyrazol-1-yl)pyrimidine-5-carboxylate
CID 165472274
methyl 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyrimidine-5-carboxylate
CID 114214892
methyl 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrimidine-5-carboxylate
CID 114214746

Frequently Asked Questions

What is the IUPAC name of lithium;alumane;hydride;(4-methoxypyrimidin-5-yl)methanol;methyl 4-methoxypyrimidine-5-carboxylate?
The IUPAC name of lithium;alumane;hydride;(4-methoxypyrimidin-5-yl)methanol;methyl 4-methoxypyrimidine-5-carboxylate (CID 161326129) is lithium;alumane;hydride;(4-methoxypyrimidin-5-yl)methanol;methyl 4-methoxypyrimidine-5-carboxylate.
What is the SMILES notation for lithium;alumane;hydride;(4-methoxypyrimidin-5-yl)methanol;methyl 4-methoxypyrimidine-5-carboxylate?
The canonical SMILES for lithium;alumane;hydride;(4-methoxypyrimidin-5-yl)methanol;methyl 4-methoxypyrimidine-5-carboxylate is COC(=O)c1cncnc1OC.COc1ncncc1CO.[AlH3].[H-].[Li+].
What is the InChIKey of lithium;alumane;hydride;(4-methoxypyrimidin-5-yl)methanol;methyl 4-methoxypyrimidine-5-carboxylate?
The InChIKey is LMKJWMNWNSBGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3.C6H8N2O2.Al.Li.4H/c1-11-6-5(7(10)12-2)3-8-4-9-6;1-10-6-5(3-9)2-7-4-8-6;;;;;;/h3-4H,1-2H3;2,4,9H,3H2,1H3;;;;;;/q;;;+1;;;;-1.
What are the key properties of lithium;alumane;hydride;(4-methoxypyrimidin-5-yl)methanol;methyl 4-methoxypyrimidine-5-carboxylate?
lithium;alumane;hydride;(4-methoxypyrimidin-5-yl)methanol;methyl 4-methoxypyrimidine-5-carboxylate has a molecular weight of 346.25 g/mol, XLogP of -3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;alumane;hydride;(4-methoxypyrimidin-5-yl)methanol;methyl 4-methoxypyrimidine-5-carboxylate is sourced from PubChem (CID 161326129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).