2-[(2,6-dimethoxy-5-methylpyrimidin-4-yl)methyl]propane-1,2,3-triol

C11H18N2O5 — CID 10355147

IUPAC2-[(2,6-dimethoxy-5-methylpyrimidin-4-yl)methyl]propane-1,2,3-triol
SMILESCOc1nc(CC(O)(CO)CO)c(C)c(OC)n1
InChIInChI=1S/C11H18N2O5/c1-7-8(4-11(16,5-14)6-15)12-10(18-3)13-9(7)17-2/h14-16H,4-6H2,1-3H3
InChIKeyQIENQXZMQPMCFK-UHFFFAOYSA-N
MW258.27 g/mol
LogP-0.94
Rot. Bonds6

About 2-[(2,6-dimethoxy-5-methylpyrimidin-4-yl)methyl]propane-1,2,3-triol

2-[(2,6-dimethoxy-5-methylpyrimidin-4-yl)methyl]propane-1,2,3-triol (PubChem CID 10355147) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-[(2,6-dimethoxy-5-methylpyrimidin-4-yl)methyl]propane-1,2,3-triol.

Molecular Properties

Compound Name2-[(2,6-dimethoxy-5-methylpyrimidin-4-yl)methyl]propane-1,2,3-triol
PubChem CID10355147
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-[(2,6-dimethoxy-5-methylpyrimidin-4-yl)methyl]propane-1,2,3-triol
SMILESCOc1nc(CC(O)(CO)CO)c(C)c(OC)n1
InChIInChI=1S/C11H18N2O5/c1-7-8(4-11(16,5-14)6-15)12-10(18-3)13-9(7)17-2/h14-16H,4-6H2,1-3H3
InChIKeyQIENQXZMQPMCFK-UHFFFAOYSA-N
XLogP-0.94
TPSA104.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(2,6-dimethoxy-5-methylpyrimidin-4-yl)methyl]propane-1,2,3-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethoxy-5-methylpyrimidin-4-yl)methyl]propane-1,2,3-triol?
The IUPAC name of 2-[(2,6-dimethoxy-5-methylpyrimidin-4-yl)methyl]propane-1,2,3-triol (CID 10355147) is 2-[(2,6-dimethoxy-5-methylpyrimidin-4-yl)methyl]propane-1,2,3-triol.
What is the SMILES notation for 2-[(2,6-dimethoxy-5-methylpyrimidin-4-yl)methyl]propane-1,2,3-triol?
The canonical SMILES for 2-[(2,6-dimethoxy-5-methylpyrimidin-4-yl)methyl]propane-1,2,3-triol is COc1nc(CC(O)(CO)CO)c(C)c(OC)n1.
What is the InChIKey of 2-[(2,6-dimethoxy-5-methylpyrimidin-4-yl)methyl]propane-1,2,3-triol?
The InChIKey is QIENQXZMQPMCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-7-8(4-11(16,5-14)6-15)12-10(18-3)13-9(7)17-2/h14-16H,4-6H2,1-3H3.
What are the key properties of 2-[(2,6-dimethoxy-5-methylpyrimidin-4-yl)methyl]propane-1,2,3-triol?
2-[(2,6-dimethoxy-5-methylpyrimidin-4-yl)methyl]propane-1,2,3-triol has a molecular weight of 258.27 g/mol, XLogP of -0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethoxy-5-methylpyrimidin-4-yl)methyl]propane-1,2,3-triol is sourced from PubChem (CID 10355147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).