2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propane-1,3-diol

C10H17N3O3 — CID 66324830

IUPAC2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propane-1,3-diol
SMILESCCOc1ncnc(NC(CO)CO)c1C
InChIInChI=1S/C10H17N3O3/c1-3-16-10-7(2)9(11-6-12-10)13-8(4-14)5-15/h6,8,14-15H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyVALVWLAUSLWHJP-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.05
Rot. Bonds6

About 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propane-1,3-diol

2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propane-1,3-diol (PubChem CID 66324830) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propane-1,3-diol
PubChem CID66324830
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propane-1,3-diol
SMILESCCOc1ncnc(NC(CO)CO)c1C
InChIInChI=1S/C10H17N3O3/c1-3-16-10-7(2)9(11-6-12-10)13-8(4-14)5-15/h6,8,14-15H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyVALVWLAUSLWHJP-UHFFFAOYSA-N
XLogP-0.05
TPSA87.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propane-1,3-diol 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-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propane-1,3-diol?
The IUPAC name of 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propane-1,3-diol (CID 66324830) is 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propane-1,3-diol.
What is the SMILES notation for 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propane-1,3-diol?
The canonical SMILES for 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propane-1,3-diol is CCOc1ncnc(NC(CO)CO)c1C.
What is the InChIKey of 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propane-1,3-diol?
The InChIKey is VALVWLAUSLWHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-3-16-10-7(2)9(11-6-12-10)13-8(4-14)5-15/h6,8,14-15H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propane-1,3-diol?
2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propane-1,3-diol has a molecular weight of 227.26 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propane-1,3-diol is sourced from PubChem (CID 66324830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).