2-[[5-amino-6-(4-methylphenoxy)pyrimidin-4-yl]-ethylamino]ethanol

C15H20N4O2 — CID 19141185

IUPAC2-[[5-amino-6-(4-methylphenoxy)pyrimidin-4-yl]-ethylamino]ethanol
SMILESCCN(CCO)c1ncnc(Oc2ccc(C)cc2)c1N
InChIInChI=1S/C15H20N4O2/c1-3-19(8-9-20)14-13(16)15(18-10-17-14)21-12-6-4-11(2)5-7-12/h4-7,10,20H,3,8-9,16H2,1-2H3
InChIKeyFKCHUVQKBXDOCX-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.98
Rot. Bonds6

About 2-[[5-amino-6-(4-methylphenoxy)pyrimidin-4-yl]-ethylamino]ethanol

2-[[5-amino-6-(4-methylphenoxy)pyrimidin-4-yl]-ethylamino]ethanol (PubChem CID 19141185) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[[5-amino-6-(4-methylphenoxy)pyrimidin-4-yl]-ethylamino]ethanol.

Molecular Properties

Compound Name2-[[5-amino-6-(4-methylphenoxy)pyrimidin-4-yl]-ethylamino]ethanol
PubChem CID19141185
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-[[5-amino-6-(4-methylphenoxy)pyrimidin-4-yl]-ethylamino]ethanol
SMILESCCN(CCO)c1ncnc(Oc2ccc(C)cc2)c1N
InChIInChI=1S/C15H20N4O2/c1-3-19(8-9-20)14-13(16)15(18-10-17-14)21-12-6-4-11(2)5-7-12/h4-7,10,20H,3,8-9,16H2,1-2H3
InChIKeyFKCHUVQKBXDOCX-UHFFFAOYSA-N
XLogP1.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[5-amino-6-(4-methylphenoxy)pyrimidin-4-yl]-ethylamino]ethanol 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-[[5-amino-6-(4-methylphenoxy)pyrimidin-4-yl]-ethylamino]ethanol?
The IUPAC name of 2-[[5-amino-6-(4-methylphenoxy)pyrimidin-4-yl]-ethylamino]ethanol (CID 19141185) is 2-[[5-amino-6-(4-methylphenoxy)pyrimidin-4-yl]-ethylamino]ethanol.
What is the SMILES notation for 2-[[5-amino-6-(4-methylphenoxy)pyrimidin-4-yl]-ethylamino]ethanol?
The canonical SMILES for 2-[[5-amino-6-(4-methylphenoxy)pyrimidin-4-yl]-ethylamino]ethanol is CCN(CCO)c1ncnc(Oc2ccc(C)cc2)c1N.
What is the InChIKey of 2-[[5-amino-6-(4-methylphenoxy)pyrimidin-4-yl]-ethylamino]ethanol?
The InChIKey is FKCHUVQKBXDOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-19(8-9-20)14-13(16)15(18-10-17-14)21-12-6-4-11(2)5-7-12/h4-7,10,20H,3,8-9,16H2,1-2H3.
What are the key properties of 2-[[5-amino-6-(4-methylphenoxy)pyrimidin-4-yl]-ethylamino]ethanol?
2-[[5-amino-6-(4-methylphenoxy)pyrimidin-4-yl]-ethylamino]ethanol has a molecular weight of 288.35 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-amino-6-(4-methylphenoxy)pyrimidin-4-yl]-ethylamino]ethanol is sourced from PubChem (CID 19141185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).