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

C19H19FN4O — CID 69163720

IUPAC2-(3-fluorophenyl)-2-[[2-(3-methylanilino)pyrimidin-4-yl]amino]ethanol
SMILESCc1cccc(Nc2nccc(NC(CO)c3cccc(F)c3)n2)c1
InChIInChI=1S/C19H19FN4O/c1-13-4-2-7-16(10-13)22-19-21-9-8-18(24-19)23-17(12-25)14-5-3-6-15(20)11-14/h2-11,17,25H,12H2,1H3,(H2,21,22,23,24)
InChIKeyKOGLDFFAUCLKQT-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.81
Rot. Bonds6

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

2-(3-fluorophenyl)-2-[[2-(3-methylanilino)pyrimidin-4-yl]amino]ethanol (PubChem CID 69163720) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-[[2-(3-methylanilino)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-[[2-(3-methylanilino)pyrimidin-4-yl]amino]ethanol
PubChem CID69163720
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name2-(3-fluorophenyl)-2-[[2-(3-methylanilino)pyrimidin-4-yl]amino]ethanol
SMILESCc1cccc(Nc2nccc(NC(CO)c3cccc(F)c3)n2)c1
InChIInChI=1S/C19H19FN4O/c1-13-4-2-7-16(10-13)22-19-21-9-8-18(24-19)23-17(12-25)14-5-3-6-15(20)11-14/h2-11,17,25H,12H2,1H3,(H2,21,22,23,24)
InChIKeyKOGLDFFAUCLKQT-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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-[[2-(3-methylanilino)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-(3-fluorophenyl)-2-[[2-(3-methylanilino)pyrimidin-4-yl]amino]ethanol (CID 69163720) is 2-(3-fluorophenyl)-2-[[2-(3-methylanilino)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-(3-fluorophenyl)-2-[[2-(3-methylanilino)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-(3-fluorophenyl)-2-[[2-(3-methylanilino)pyrimidin-4-yl]amino]ethanol is Cc1cccc(Nc2nccc(NC(CO)c3cccc(F)c3)n2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-2-[[2-(3-methylanilino)pyrimidin-4-yl]amino]ethanol?
The InChIKey is KOGLDFFAUCLKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-13-4-2-7-16(10-13)22-19-21-9-8-18(24-19)23-17(12-25)14-5-3-6-15(20)11-14/h2-11,17,25H,12H2,1H3,(H2,21,22,23,24).
What are the key properties of 2-(3-fluorophenyl)-2-[[2-(3-methylanilino)pyrimidin-4-yl]amino]ethanol?
2-(3-fluorophenyl)-2-[[2-(3-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 2-(3-fluorophenyl)-2-[[2-(3-methylanilino)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 69163720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).