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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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).