4-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-amine

C39H35N3O2 — CID 167437187

IUPAC4-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-amine
SMILESCC(C)(c1ccc(OCc2ccnc(N)n2)cc1)c1ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C39H35N3O2/c1-38(2,29-18-22-35(23-19-29)43-28-34-26-27-41-37(40)42-34)30-20-24-36(25-21-30)44-39(31-12-6-3-7-13-31,32-14-8-4-9-15-32)33-16-10-5-11-17-33/h3-27H,28H2,1-2H3,(H2,40,41,42)
InChIKeyWWSBXPIUFHZBQY-UHFFFAOYSA-N
MW577.73 g/mol
LogP8.33
Rot. Bonds10

About 4-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-amine

4-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-amine (PubChem CID 167437187) has the molecular formula C39H35N3O2 and a molecular weight of 577.73 g/mol. Its IUPAC name is 4-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-amine
PubChem CID167437187
Molecular FormulaC39H35N3O2
Molecular Weight577.73 g/mol
Exact Mass577.27
IUPAC Name4-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-amine
SMILESCC(C)(c1ccc(OCc2ccnc(N)n2)cc1)c1ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C39H35N3O2/c1-38(2,29-18-22-35(23-19-29)43-28-34-26-27-41-37(40)42-34)30-20-24-36(25-21-30)44-39(31-12-6-3-7-13-31,32-14-8-4-9-15-32)33-16-10-5-11-17-33/h3-27H,28H2,1-2H3,(H2,40,41,42)
InChIKeyWWSBXPIUFHZBQY-UHFFFAOYSA-N
XLogP8.33
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.73
LogP ≤ 58.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 4-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-amine 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

N-methyl-N-[4-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-yl]methanesulfonamide
CID 171572753
2-[4-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-yl]-1,2-thiazolidine 1,1-dioxide
CID 167437182
(2R)-2-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]oxirane
CID 153368265
1-methylsulfanyl-3-[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]propan-2-ol
CID 156534471
4-[2-[4-[[2-(1-ethoxyethenyl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenol
CID 167437122
4-[(4-bromo-3-methylphenoxy)methyl]pyrimidin-2-amine
CID 112751405
4-[[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]methyl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 176626342
4-[[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]methyl]-2-(1-methylpiperidin-4-yl)oxypyrimidine
CID 176625650
2-(3-isocyanoazetidin-1-yl)-4-[[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]methyl]pyrimidine
CID 176626237
2-[4-[[3-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]ethanamine
CID 20685417
5-[3-[4-[2-[4-[(2-aminopyrimidin-4-yl)methoxy]phenyl]propan-2-yl]phenoxy]propylamino]-2-(2,6-dihydroxypiperidin-3-yl)isoindole-1,3-dione
CID 167437316
2-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethylsulfanyl]pyrimidine
CID 2199669

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-amine?
The IUPAC name of 4-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-amine (CID 167437187) is 4-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-amine is CC(C)(c1ccc(OCc2ccnc(N)n2)cc1)c1ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-amine?
The InChIKey is WWSBXPIUFHZBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H35N3O2/c1-38(2,29-18-22-35(23-19-29)43-28-34-26-27-41-37(40)42-34)30-20-24-36(25-21-30)44-39(31-12-6-3-7-13-31,32-14-8-4-9-15-32)33-16-10-5-11-17-33/h3-27H,28H2,1-2H3,(H2,40,41,42).
What are the key properties of 4-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-amine?
4-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-amine has a molecular weight of 577.73 g/mol, XLogP of 8.33, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-amine is sourced from PubChem (CID 167437187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).