trisodium;(4-amino-2-methylpyrimidin-5-yl)methanol;hydride

C6H12N3Na3O — CID 173304149

IUPACtrisodium;(4-amino-2-methylpyrimidin-5-yl)methanol;hydride
SMILESCc1ncc(CO)c(N)n1.[H-].[H-].[H-].[Na+].[Na+].[Na+]
InChIInChI=1S/C6H9N3O.3Na.3H/c1-4-8-2-5(3-10)6(7)9-4;;;;;;/h2,10H,3H2,1H3,(H2,7,8,9);;;;;;/q;3*+1;3*-1
InChIKeyZEIIVUWIKHUGCN-UHFFFAOYSA-N
MW211.15 g/mol
LogP-8.79
Rot. Bonds1

About trisodium;(4-amino-2-methylpyrimidin-5-yl)methanol;hydride

trisodium;(4-amino-2-methylpyrimidin-5-yl)methanol;hydride (PubChem CID 173304149) has the molecular formula C6H12N3Na3O and a molecular weight of 211.15 g/mol. Its IUPAC name is trisodium;(4-amino-2-methylpyrimidin-5-yl)methanol;hydride.

Molecular Properties

Compound Nametrisodium;(4-amino-2-methylpyrimidin-5-yl)methanol;hydride
PubChem CID173304149
Molecular FormulaC6H12N3Na3O
Molecular Weight211.15 g/mol
Exact Mass211.07
IUPAC Nametrisodium;(4-amino-2-methylpyrimidin-5-yl)methanol;hydride
SMILESCc1ncc(CO)c(N)n1.[H-].[H-].[H-].[Na+].[Na+].[Na+]
InChIInChI=1S/C6H9N3O.3Na.3H/c1-4-8-2-5(3-10)6(7)9-4;;;;;;/h2,10H,3H2,1H3,(H2,7,8,9);;;;;;/q;3*+1;3*-1
InChIKeyZEIIVUWIKHUGCN-UHFFFAOYSA-N
XLogP-8.79
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.15
LogP ≤ 5-8.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-amino-2-methylpyrimidin-5-yl)ethanol
CID 129317411
5-ethyl-2-methylpyrimidin-4-amine
CID 22978191
5-[(4-amino-2-methylpyrimidin-5-yl)methylsulfanylmethyl]-2-methylpyrimidin-4-amine
CID 121015810
5-(ethoxymethyl)-2-methylpyrimidin-4-amine;hydrochloride
CID 159577118
CID 66817606
CID 66817606
(2S)-2-amino-3-(4-amino-2-methylpyrimidin-5-yl)propanoic acid
CID 26792673
(4-amino-2-methylpyrimidin-5-yl)methyl phosphate
CID 25244846
2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]pyrimidin-4-amine
CID 14404472
bis([1-[(4-amino-2-methylpyrimidin-5-yl)methyl]pyridin-1-ium-3-yl]methanol);chloride;hydrochloride
CID 126456587
(2R)-2-amino-3-[(4-amino-2-methylpyrimidin-5-yl)methylsulfanyl]propanoic acid
CID 151757918
2-methyl-5-(pyridin-1-ium-1-ylmethyl)pyrimidin-4-amine;chloride;hydrochloride
CID 44890109
5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpyrimidin-4-amine
CID 154404014

Frequently Asked Questions

What is the IUPAC name of trisodium;(4-amino-2-methylpyrimidin-5-yl)methanol;hydride?
The IUPAC name of trisodium;(4-amino-2-methylpyrimidin-5-yl)methanol;hydride (CID 173304149) is trisodium;(4-amino-2-methylpyrimidin-5-yl)methanol;hydride.
What is the SMILES notation for trisodium;(4-amino-2-methylpyrimidin-5-yl)methanol;hydride?
The canonical SMILES for trisodium;(4-amino-2-methylpyrimidin-5-yl)methanol;hydride is Cc1ncc(CO)c(N)n1.[H-].[H-].[H-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;(4-amino-2-methylpyrimidin-5-yl)methanol;hydride?
The InChIKey is ZEIIVUWIKHUGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O.3Na.3H/c1-4-8-2-5(3-10)6(7)9-4;;;;;;/h2,10H,3H2,1H3,(H2,7,8,9);;;;;;/q;3*+1;3*-1.
What are the key properties of trisodium;(4-amino-2-methylpyrimidin-5-yl)methanol;hydride?
trisodium;(4-amino-2-methylpyrimidin-5-yl)methanol;hydride has a molecular weight of 211.15 g/mol, XLogP of -8.79, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;(4-amino-2-methylpyrimidin-5-yl)methanol;hydride is sourced from PubChem (CID 173304149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).