1-(3-fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol

C19H19FN4O — CID 24824393

IUPAC1-(3-fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol
SMILESCc1ccc(Nc2nccc(NCC(O)c3cccc(F)c3)n2)cc1
InChIInChI=1S/C19H19FN4O/c1-13-5-7-16(8-6-13)23-19-21-10-9-18(24-19)22-12-17(25)14-3-2-4-15(20)11-14/h2-11,17,25H,12H2,1H3,(H2,21,22,23,24)
InChIKeyNLHQWAJPELMIKN-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.81
Rot. Bonds6

About 1-(3-fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol

1-(3-fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol (PubChem CID 24824393) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol
PubChem CID24824393
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name1-(3-fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol
SMILESCc1ccc(Nc2nccc(NCC(O)c3cccc(F)c3)n2)cc1
InChIInChI=1S/C19H19FN4O/c1-13-5-7-16(8-6-13)23-19-21-10-9-18(24-19)22-12-17(25)14-3-2-4-15(20)11-14/h2-11,17,25H,12H2,1H3,(H2,21,22,23,24)
InChIKeyNLHQWAJPELMIKN-UHFFFAOYSA-N
XLogP3.81
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(3-fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]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 1-(3-fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 1-(3-fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol (CID 24824393) is 1-(3-fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 1-(3-fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 1-(3-fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol is Cc1ccc(Nc2nccc(NCC(O)c3cccc(F)c3)n2)cc1.
What is the InChIKey of 1-(3-fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol?
The InChIKey is NLHQWAJPELMIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-13-5-7-16(8-6-13)23-19-21-10-9-18(24-19)22-12-17(25)14-3-2-4-15(20)11-14/h2-11,17,25H,12H2,1H3,(H2,21,22,23,24).
What are the key properties of 1-(3-fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol?
1-(3-fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol has a molecular weight of 338.39 g/mol, XLogP of 3.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 24824393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).