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

C14H17F2N5O — CID 19141212

IUPAC2-[[5-amino-6-(2,4-difluoroanilino)pyrimidin-4-yl]-ethylamino]ethanol
SMILESCCN(CCO)c1ncnc(Nc2ccc(F)cc2F)c1N
InChIInChI=1S/C14H17F2N5O/c1-2-21(5-6-22)14-12(17)13(18-8-19-14)20-11-4-3-9(15)7-10(11)16/h3-4,7-8,22H,2,5-6,17H2,1H3,(H,18,19,20)
InChIKeyZNVSQFPGNXKIJA-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.90
Rot. Bonds6

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

2-[[5-amino-6-(2,4-difluoroanilino)pyrimidin-4-yl]-ethylamino]ethanol (PubChem CID 19141212) has the molecular formula C14H17F2N5O and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-[[5-amino-6-(2,4-difluoroanilino)pyrimidin-4-yl]-ethylamino]ethanol.

Molecular Properties

Compound Name2-[[5-amino-6-(2,4-difluoroanilino)pyrimidin-4-yl]-ethylamino]ethanol
PubChem CID19141212
Molecular FormulaC14H17F2N5O
Molecular Weight309.32 g/mol
Exact Mass309.14
IUPAC Name2-[[5-amino-6-(2,4-difluoroanilino)pyrimidin-4-yl]-ethylamino]ethanol
SMILESCCN(CCO)c1ncnc(Nc2ccc(F)cc2F)c1N
InChIInChI=1S/C14H17F2N5O/c1-2-21(5-6-22)14-12(17)13(18-8-19-14)20-11-4-3-9(15)7-10(11)16/h3-4,7-8,22H,2,5-6,17H2,1H3,(H,18,19,20)
InChIKeyZNVSQFPGNXKIJA-UHFFFAOYSA-N
XLogP1.90
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[5-amino-6-(2,4-difluoroanilino)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-(2,4-difluoroanilino)pyrimidin-4-yl]-ethylamino]ethanol?
The IUPAC name of 2-[[5-amino-6-(2,4-difluoroanilino)pyrimidin-4-yl]-ethylamino]ethanol (CID 19141212) is 2-[[5-amino-6-(2,4-difluoroanilino)pyrimidin-4-yl]-ethylamino]ethanol.
What is the SMILES notation for 2-[[5-amino-6-(2,4-difluoroanilino)pyrimidin-4-yl]-ethylamino]ethanol?
The canonical SMILES for 2-[[5-amino-6-(2,4-difluoroanilino)pyrimidin-4-yl]-ethylamino]ethanol is CCN(CCO)c1ncnc(Nc2ccc(F)cc2F)c1N.
What is the InChIKey of 2-[[5-amino-6-(2,4-difluoroanilino)pyrimidin-4-yl]-ethylamino]ethanol?
The InChIKey is ZNVSQFPGNXKIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N5O/c1-2-21(5-6-22)14-12(17)13(18-8-19-14)20-11-4-3-9(15)7-10(11)16/h3-4,7-8,22H,2,5-6,17H2,1H3,(H,18,19,20).
What are the key properties of 2-[[5-amino-6-(2,4-difluoroanilino)pyrimidin-4-yl]-ethylamino]ethanol?
2-[[5-amino-6-(2,4-difluoroanilino)pyrimidin-4-yl]-ethylamino]ethanol has a molecular weight of 309.32 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-amino-6-(2,4-difluoroanilino)pyrimidin-4-yl]-ethylamino]ethanol is sourced from PubChem (CID 19141212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).