3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2-methylpropane-1,2-diol

C11H19N3O4 — CID 66168958

IUPAC3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2-methylpropane-1,2-diol
SMILESCOc1ncnc(OC)c1CNCC(C)(O)CO
InChIInChI=1S/C11H19N3O4/c1-11(16,6-15)5-12-4-8-9(17-2)13-7-14-10(8)18-3/h7,12,15-16H,4-6H2,1-3H3
InChIKeyARJIUWWDOWNZBO-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.67
Rot. Bonds7

About 3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2-methylpropane-1,2-diol

3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2-methylpropane-1,2-diol (PubChem CID 66168958) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2-methylpropane-1,2-diol
PubChem CID66168958
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2-methylpropane-1,2-diol
SMILESCOc1ncnc(OC)c1CNCC(C)(O)CO
InChIInChI=1S/C11H19N3O4/c1-11(16,6-15)5-12-4-8-9(17-2)13-7-14-10(8)18-3/h7,12,15-16H,4-6H2,1-3H3
InChIKeyARJIUWWDOWNZBO-UHFFFAOYSA-N
XLogP-0.67
TPSA96.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2-methylpropane-1,2-diol (CID 66168958) is 3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2-methylpropane-1,2-diol is COc1ncnc(OC)c1CNCC(C)(O)CO.
What is the InChIKey of 3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2-methylpropane-1,2-diol?
The InChIKey is ARJIUWWDOWNZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-11(16,6-15)5-12-4-8-9(17-2)13-7-14-10(8)18-3/h7,12,15-16H,4-6H2,1-3H3.
What are the key properties of 3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2-methylpropane-1,2-diol?
3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2-methylpropane-1,2-diol has a molecular weight of 257.29 g/mol, XLogP of -0.67, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 66168958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).