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

C19H19FN4O — CID 69164601

IUPAC2-(3-fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol
SMILESCc1ccc(Nc2nccc(NC(CO)c3cccc(F)c3)n2)cc1
InChIInChI=1S/C19H19FN4O/c1-13-5-7-16(8-6-13)22-19-21-10-9-18(24-19)23-17(12-25)14-3-2-4-15(20)11-14/h2-11,17,25H,12H2,1H3,(H2,21,22,23,24)
InChIKeyMHJOYYQTRREYRA-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.81
Rot. Bonds6

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

2-(3-fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol (PubChem CID 69164601) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol
PubChem CID69164601
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name2-(3-fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol
SMILESCc1ccc(Nc2nccc(NC(CO)c3cccc(F)c3)n2)cc1
InChIInChI=1S/C19H19FN4O/c1-13-5-7-16(8-6-13)22-19-21-10-9-18(24-19)23-17(12-25)14-3-2-4-15(20)11-14/h2-11,17,25H,12H2,1H3,(H2,21,22,23,24)
InChIKeyMHJOYYQTRREYRA-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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Related Compounds

2-(3-fluorophenyl)-2-[[2-(3-methylanilino)pyrimidin-4-yl]amino]ethanol
CID 69163720
2-[(2-anilinopyrimidin-4-yl)amino]-2-(4-methylphenyl)ethanol
CID 69186524
(2S)-2-[[2-(3-fluoroanilino)pyrimidin-4-yl]amino]propan-1-ol
CID 134158145
2-N-(4-methylphenyl)-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890029
ethyl 4-[[2-(3-fluoroanilino)pyrimidin-4-yl]amino]benzoate
CID 112906297
4-N-(3,4-dichlorophenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112902002
2-(3-fluorophenyl)-2-(2-methylanilino)ethanol
CID 61047365
(2S)-2-[(2,5-dichloropyrimidin-4-yl)amino]-2-(3-fluorophenyl)ethanol
CID 89399630
2-(3-fluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314152
2-(4-bromo-3-fluorophenyl)-2-(4-methylanilino)ethanol
CID 81440633
2-N-phenyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112890568
2-(4-fluoro-3-methylphenyl)-2-(4-methylanilino)ethanol
CID 62122602

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-(3-fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol (CID 69164601) is 2-(3-fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-(3-fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-(3-fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol is Cc1ccc(Nc2nccc(NC(CO)c3cccc(F)c3)n2)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol?
The InChIKey is MHJOYYQTRREYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-13-5-7-16(8-6-13)22-19-21-10-9-18(24-19)23-17(12-25)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 2-(3-fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol?
2-(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 2-(3-fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 69164601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).