2-[N-(2-hydroxyethyl)-4-[(2-phenylpyrimidin-4-yl)amino]anilino]ethanol

C20H22N4O2 — CID 174907159

IUPAC2-[N-(2-hydroxyethyl)-4-[(2-phenylpyrimidin-4-yl)amino]anilino]ethanol
SMILESOCCN(CCO)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H22N4O2/c25-14-12-24(13-15-26)18-8-6-17(7-9-18)22-19-10-11-21-20(23-19)16-4-2-1-3-5-16/h1-11,25-26H,12-15H2,(H,21,22,23)
InChIKeyYAQBDSDFJCFSGQ-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.68
Rot. Bonds8

About 2-[N-(2-hydroxyethyl)-4-[(2-phenylpyrimidin-4-yl)amino]anilino]ethanol

2-[N-(2-hydroxyethyl)-4-[(2-phenylpyrimidin-4-yl)amino]anilino]ethanol (PubChem CID 174907159) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[N-(2-hydroxyethyl)-4-[(2-phenylpyrimidin-4-yl)amino]anilino]ethanol.

Molecular Properties

Compound Name2-[N-(2-hydroxyethyl)-4-[(2-phenylpyrimidin-4-yl)amino]anilino]ethanol
PubChem CID174907159
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-[N-(2-hydroxyethyl)-4-[(2-phenylpyrimidin-4-yl)amino]anilino]ethanol
SMILESOCCN(CCO)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H22N4O2/c25-14-12-24(13-15-26)18-8-6-17(7-9-18)22-19-10-11-21-20(23-19)16-4-2-1-3-5-16/h1-11,25-26H,12-15H2,(H,21,22,23)
InChIKeyYAQBDSDFJCFSGQ-UHFFFAOYSA-N
XLogP2.68
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-N,4-N-diphenylpyrimidine-2,4-diamine
CID 948954
2-({6-[(3-Methylphenyl)amino]pyrimidin-4-yl}amino)ethan-1-ol
CID 5328382
5-fluoro-N,N'-bis(3-methylphenyl)pyrimidine-2,4-diamine
CID 802952
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 51
CID 5330237
7-cyclohexyl-N-[4-(morpholin-4-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 23646625
N-[4-[2-[(4-Morpholin-4-Ylphenyl)amino]pyrimidin-4-Yl]phenyl]ethanamide
CID 24877326
Bisanilinopyrimidine, 6g
CID 70702138
3-[[2-(Butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 72793042
4-[[2-(Butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]butan-1-ol
CID 72793043
N-[[4-[(4-pyrrolidin-1-ylanilino)methyl]phenyl]methyl]pyrimidin-2-amine
CID 49857491
2,5-Bis(4-aminophenyl)-pyrimidine
CID 652390
N-benzyl-2-morpholinopyrimidin-4-amine
CID 46891015

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-hydroxyethyl)-4-[(2-phenylpyrimidin-4-yl)amino]anilino]ethanol?
The IUPAC name of 2-[N-(2-hydroxyethyl)-4-[(2-phenylpyrimidin-4-yl)amino]anilino]ethanol (CID 174907159) is 2-[N-(2-hydroxyethyl)-4-[(2-phenylpyrimidin-4-yl)amino]anilino]ethanol.
What is the SMILES notation for 2-[N-(2-hydroxyethyl)-4-[(2-phenylpyrimidin-4-yl)amino]anilino]ethanol?
The canonical SMILES for 2-[N-(2-hydroxyethyl)-4-[(2-phenylpyrimidin-4-yl)amino]anilino]ethanol is OCCN(CCO)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-[N-(2-hydroxyethyl)-4-[(2-phenylpyrimidin-4-yl)amino]anilino]ethanol?
The InChIKey is YAQBDSDFJCFSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-14-12-24(13-15-26)18-8-6-17(7-9-18)22-19-10-11-21-20(23-19)16-4-2-1-3-5-16/h1-11,25-26H,12-15H2,(H,21,22,23).
What are the key properties of 2-[N-(2-hydroxyethyl)-4-[(2-phenylpyrimidin-4-yl)amino]anilino]ethanol?
2-[N-(2-hydroxyethyl)-4-[(2-phenylpyrimidin-4-yl)amino]anilino]ethanol has a molecular weight of 350.42 g/mol, XLogP of 2.68, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-hydroxyethyl)-4-[(2-phenylpyrimidin-4-yl)amino]anilino]ethanol is sourced from PubChem (CID 174907159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).