2-[(2-anilinopyrimidin-4-yl)amino]-2-(4-methylphenyl)ethanol

C19H20N4O — CID 69186524

IUPAC2-[(2-anilinopyrimidin-4-yl)amino]-2-(4-methylphenyl)ethanol
SMILESCc1ccc(C(CO)Nc2ccnc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C19H20N4O/c1-14-7-9-15(10-8-14)17(13-24)22-18-11-12-20-19(23-18)21-16-5-3-2-4-6-16/h2-12,17,24H,13H2,1H3,(H2,20,21,22,23)
InChIKeyCISQHTMWWMTASP-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.67
Rot. Bonds6

About 2-[(2-anilinopyrimidin-4-yl)amino]-2-(4-methylphenyl)ethanol

2-[(2-anilinopyrimidin-4-yl)amino]-2-(4-methylphenyl)ethanol (PubChem CID 69186524) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[(2-anilinopyrimidin-4-yl)amino]-2-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[(2-anilinopyrimidin-4-yl)amino]-2-(4-methylphenyl)ethanol
PubChem CID69186524
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-[(2-anilinopyrimidin-4-yl)amino]-2-(4-methylphenyl)ethanol
SMILESCc1ccc(C(CO)Nc2ccnc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C19H20N4O/c1-14-7-9-15(10-8-14)17(13-24)22-18-11-12-20-19(23-18)21-16-5-3-2-4-6-16/h2-12,17,24H,13H2,1H3,(H2,20,21,22,23)
InChIKeyCISQHTMWWMTASP-UHFFFAOYSA-N
XLogP3.67
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol
CID 69164601
2-(3-fluorophenyl)-2-[[2-(3-methylanilino)pyrimidin-4-yl]amino]ethanol
CID 69163720
2-N-phenyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112890568
4-N-[(4-methylphenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
CID 112890302
2-[(6-methyl-2-pyridinyl)amino]-2-phenylethanol
CID 63183355
4-hydrazinyl-N-phenylpyrimidin-2-amine
CID 94672732
2-[(4-methoxypyrimidin-2-yl)amino]-2-phenylethanol
CID 112689970
2-[[2-(3-chloroanilino)pyrimidin-4-yl]amino]-1-(4-methylphenyl)ethanol
CID 24824262
(2S)-2-[[2-(3-fluoroanilino)pyrimidin-4-yl]amino]propan-1-ol
CID 134158145
2-phenyl-2-(pyrazin-2-ylamino)ethanol
CID 63183280
2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109313398
4-N-(2,6-diethylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112901770

Frequently Asked Questions

What is the IUPAC name of 2-[(2-anilinopyrimidin-4-yl)amino]-2-(4-methylphenyl)ethanol?
The IUPAC name of 2-[(2-anilinopyrimidin-4-yl)amino]-2-(4-methylphenyl)ethanol (CID 69186524) is 2-[(2-anilinopyrimidin-4-yl)amino]-2-(4-methylphenyl)ethanol.
What is the SMILES notation for 2-[(2-anilinopyrimidin-4-yl)amino]-2-(4-methylphenyl)ethanol?
The canonical SMILES for 2-[(2-anilinopyrimidin-4-yl)amino]-2-(4-methylphenyl)ethanol is Cc1ccc(C(CO)Nc2ccnc(Nc3ccccc3)n2)cc1.
What is the InChIKey of 2-[(2-anilinopyrimidin-4-yl)amino]-2-(4-methylphenyl)ethanol?
The InChIKey is CISQHTMWWMTASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-14-7-9-15(10-8-14)17(13-24)22-18-11-12-20-19(23-18)21-16-5-3-2-4-6-16/h2-12,17,24H,13H2,1H3,(H2,20,21,22,23).
What are the key properties of 2-[(2-anilinopyrimidin-4-yl)amino]-2-(4-methylphenyl)ethanol?
2-[(2-anilinopyrimidin-4-yl)amino]-2-(4-methylphenyl)ethanol has a molecular weight of 320.40 g/mol, XLogP of 3.67, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-anilinopyrimidin-4-yl)amino]-2-(4-methylphenyl)ethanol is sourced from PubChem (CID 69186524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).