1-[3-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]ethanol

C16H17N5O — CID 141068001

IUPAC1-[3-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]ethanol
SMILESCC(O)c1cccc(Nc2nccc(-c3cncn3C)n2)c1
InChIInChI=1S/C16H17N5O/c1-11(22)12-4-3-5-13(8-12)19-16-18-7-6-14(20-16)15-9-17-10-21(15)2/h3-11,22H,1-2H3,(H,18,19,20)
InChIKeyGYBHQCUUNIHXAH-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.67
Rot. Bonds4

About 1-[3-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]ethanol

1-[3-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]ethanol (PubChem CID 141068001) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 1-[3-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]ethanol
PubChem CID141068001
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name1-[3-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]ethanol
SMILESCC(O)c1cccc(Nc2nccc(-c3cncn3C)n2)c1
InChIInChI=1S/C16H17N5O/c1-11(22)12-4-3-5-13(8-12)19-16-18-7-6-14(20-16)15-9-17-10-21(15)2/h3-11,22H,1-2H3,(H,18,19,20)
InChIKeyGYBHQCUUNIHXAH-UHFFFAOYSA-N
XLogP2.67
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

SB 239063
CID 5166
(3-Methyl-5-{[4-(2-phenyl-1h-imidazol-1-yl)pyrimidin-2-yl]amino}phenyl)methanol
CID 5329428
4-[5-(2-Azanylpyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol
CID 22464120
4-[4-(4-Fluoro-phenyl)-5-(2-phenylamino-pyrimidin-4-yl)-imidazol-1-yl]-cyclohexanol
CID 10094158
4-[4-(4-Fluoro-phenyl)-5-(2-methylamino-pyrimidin-4-yl)-imidazol-1-yl]-cyclohexanol
CID 44329092
2-[[2-[3-[4-[(Dimethylamino)methyl]phenyl]anilino]pyrimidin-4-yl]amino]-1-phenylethanol
CID 44530121
2-[[2-[3-(4-Methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-1-phenylethanol
CID 24822683
(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-imidazol-1-ylbutan-2-ol
CID 25132724
(1R)-2-(2-amino-5-methylbenzimidazol-1-yl)-1-phenylethanol
CID 44532771
4-[[4-[Hydroxy(m-tolyl)methyl]pyrimidin-2-yl]amino]benzonitrile
CID 56675188
[4-(8-Amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanol
CID 71553143
1-(8-Hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-3-[3-(5-methylimidazol-1-yl)propyl]thiourea
CID 71712563

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]ethanol?
The IUPAC name of 1-[3-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]ethanol (CID 141068001) is 1-[3-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]ethanol.
What is the SMILES notation for 1-[3-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]ethanol?
The canonical SMILES for 1-[3-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]ethanol is CC(O)c1cccc(Nc2nccc(-c3cncn3C)n2)c1.
What is the InChIKey of 1-[3-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]ethanol?
The InChIKey is GYBHQCUUNIHXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-11(22)12-4-3-5-13(8-12)19-16-18-7-6-14(20-16)15-9-17-10-21(15)2/h3-11,22H,1-2H3,(H,18,19,20).
What are the key properties of 1-[3-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]ethanol?
1-[3-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]ethanol has a molecular weight of 295.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]ethanol is sourced from PubChem (CID 141068001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).