2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol

C13H14ClN3O — CID 86217524

IUPAC2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol
SMILESCc1cc(NCCO)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C13H14ClN3O/c1-9-7-12(15-5-6-18)17-13(16-9)10-3-2-4-11(14)8-10/h2-4,7-8,18H,5-6H2,1H3,(H,15,16,17)
InChIKeyZHKSTIHWJRTQIO-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.51
Rot. Bonds4

About 2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol

2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol (PubChem CID 86217524) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol
PubChem CID86217524
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol
SMILESCc1cc(NCCO)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C13H14ClN3O/c1-9-7-12(15-5-6-18)17-13(16-9)10-3-2-4-11(14)8-10/h2-4,7-8,18H,5-6H2,1H3,(H,15,16,17)
InChIKeyZHKSTIHWJRTQIO-UHFFFAOYSA-N
XLogP2.51
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(3-chlorophenyl)-6-methylpyrimidin-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

Related Compounds

2-chloro-4-[4-methyl-6-(propylamino)pyrimidin-2-yl]phenol
CID 135978603
2-[[2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]ethanol
CID 133349066
6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine
CID 63485047
2-[(2-chloro-6-methylpyrimidin-4-yl)amino]ethanol;ethane;2-methylpropane
CID 142930051
N-decyl-6-methyl-2-(4-phenylphenyl)pyrimidin-4-amine
CID 59340782
2-[(6-hydrazinyl-2-phenylpyrimidin-4-yl)amino]ethanol
CID 112559967
2-[[2-(1-benzothiophen-3-yl)-6-methylpyrimidin-4-yl]amino]ethanol
CID 117084250
4-[(2-chloro-6-methylpyrimidin-4-yl)amino]butan-1-ol
CID 106842931
6-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 50957101
2-[[6-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]ethanol
CID 117093959
6-chloro-2-(3-chlorophenyl)-N-(2,2-diethoxyethyl)pyrimidin-4-amine
CID 88834197
2-(4-tert-butylphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 63485987

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol (CID 86217524) is 2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol is Cc1cc(NCCO)nc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol?
The InChIKey is ZHKSTIHWJRTQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-9-7-12(15-5-6-18)17-13(16-9)10-3-2-4-11(14)8-10/h2-4,7-8,18H,5-6H2,1H3,(H,15,16,17).
What are the key properties of 2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol?
2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol has a molecular weight of 263.73 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 86217524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).