2-[5-fluoro-4-methyl-2-[(4-methyl-1,3,5-triazin-2-yl)amino]phenyl]butan-2-ol

C15H19FN4O — CID 163441295

IUPAC2-[5-fluoro-4-methyl-2-[(4-methyl-1,3,5-triazin-2-yl)amino]phenyl]butan-2-ol
SMILESCCC(C)(O)c1cc(F)c(C)cc1Nc1ncnc(C)n1
InChIInChI=1S/C15H19FN4O/c1-5-15(4,21)11-7-12(16)9(2)6-13(11)20-14-18-8-17-10(3)19-14/h6-8,21H,5H2,1-4H3,(H,17,18,19,20)
InChIKeyAYTRBRVOBGVVSB-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.99
Rot. Bonds4

About 2-[5-fluoro-4-methyl-2-[(4-methyl-1,3,5-triazin-2-yl)amino]phenyl]butan-2-ol

2-[5-fluoro-4-methyl-2-[(4-methyl-1,3,5-triazin-2-yl)amino]phenyl]butan-2-ol (PubChem CID 163441295) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[5-fluoro-4-methyl-2-[(4-methyl-1,3,5-triazin-2-yl)amino]phenyl]butan-2-ol.

Molecular Properties

Compound Name2-[5-fluoro-4-methyl-2-[(4-methyl-1,3,5-triazin-2-yl)amino]phenyl]butan-2-ol
PubChem CID163441295
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name2-[5-fluoro-4-methyl-2-[(4-methyl-1,3,5-triazin-2-yl)amino]phenyl]butan-2-ol
SMILESCCC(C)(O)c1cc(F)c(C)cc1Nc1ncnc(C)n1
InChIInChI=1S/C15H19FN4O/c1-5-15(4,21)11-7-12(16)9(2)6-13(11)20-14-18-8-17-10(3)19-14/h6-8,21H,5H2,1-4H3,(H,17,18,19,20)
InChIKeyAYTRBRVOBGVVSB-UHFFFAOYSA-N
XLogP2.99
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[5-fluoro-4-methyl-2-[(4-methyl-1,3,5-triazin-2-yl)amino]phenyl]butan-2-ol with MolForge

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Related Compounds

2-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]-4,5-difluorophenyl]butan-2-ol
CID 139378136
N-[5-[[4-[4,5-difluoro-2-(2-hydroxybutan-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-2-[2-[(dimethylamino)methyl]azetidin-1-yl]-4-methoxyphenyl]prop-2-enamide
CID 155164969
N-(3,5-ditert-butylphenyl)-4-methyl-1,3,5-triazin-2-amine
CID 175274016
2-[5-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-fluoro-4-pyridinyl]propan-2-ol
CID 155174421
(2S)-2-(4-fluoro-3-methylphenyl)butan-2-ol
CID 94601210
(2R)-2-(4-fluoro-3-methylphenyl)butan-2-ol
CID 94601211
1-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-2-ol
CID 103590481
(2R)-2-(2,5-dimethylphenyl)butan-2-ol
CID 94334052
4-N-(2,5-difluoro-4-methylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 103587790
4-N-(2,5-difluoro-4-methylphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 103587864
2-(4-methyl-3-pyridinyl)butan-2-ol
CID 66273296
1-[(4-fluoro-1,3,5-triazin-2-yl)amino]ethane-1,1-diol
CID 57148533

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-4-methyl-2-[(4-methyl-1,3,5-triazin-2-yl)amino]phenyl]butan-2-ol?
The IUPAC name of 2-[5-fluoro-4-methyl-2-[(4-methyl-1,3,5-triazin-2-yl)amino]phenyl]butan-2-ol (CID 163441295) is 2-[5-fluoro-4-methyl-2-[(4-methyl-1,3,5-triazin-2-yl)amino]phenyl]butan-2-ol.
What is the SMILES notation for 2-[5-fluoro-4-methyl-2-[(4-methyl-1,3,5-triazin-2-yl)amino]phenyl]butan-2-ol?
The canonical SMILES for 2-[5-fluoro-4-methyl-2-[(4-methyl-1,3,5-triazin-2-yl)amino]phenyl]butan-2-ol is CCC(C)(O)c1cc(F)c(C)cc1Nc1ncnc(C)n1.
What is the InChIKey of 2-[5-fluoro-4-methyl-2-[(4-methyl-1,3,5-triazin-2-yl)amino]phenyl]butan-2-ol?
The InChIKey is AYTRBRVOBGVVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-5-15(4,21)11-7-12(16)9(2)6-13(11)20-14-18-8-17-10(3)19-14/h6-8,21H,5H2,1-4H3,(H,17,18,19,20).
What are the key properties of 2-[5-fluoro-4-methyl-2-[(4-methyl-1,3,5-triazin-2-yl)amino]phenyl]butan-2-ol?
2-[5-fluoro-4-methyl-2-[(4-methyl-1,3,5-triazin-2-yl)amino]phenyl]butan-2-ol has a molecular weight of 290.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-4-methyl-2-[(4-methyl-1,3,5-triazin-2-yl)amino]phenyl]butan-2-ol is sourced from PubChem (CID 163441295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).