tert-butyl N-[(1S)-2-phenyl-1-(2-phenylpyrimidin-4-yl)ethyl]carbamate

C23H25N3O2 — CID 101394448

IUPACtert-butyl N-[(1S)-2-phenyl-1-(2-phenylpyrimidin-4-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1ccnc(-c2ccccc2)n1
InChIInChI=1S/C23H25N3O2/c1-23(2,3)28-22(27)26-20(16-17-10-6-4-7-11-17)19-14-15-24-21(25-19)18-12-8-5-9-13-18/h4-15,20H,16H2,1-3H3,(H,26,27)/t20-/m0/s1
InChIKeyLPZKSSJSURBMOF-FQEVSTJZSA-N
MW375.47 g/mol
LogP4.95
Rot. Bonds5

About tert-butyl N-[(1S)-2-phenyl-1-(2-phenylpyrimidin-4-yl)ethyl]carbamate

tert-butyl N-[(1S)-2-phenyl-1-(2-phenylpyrimidin-4-yl)ethyl]carbamate (PubChem CID 101394448) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is tert-butyl N-[(1S)-2-phenyl-1-(2-phenylpyrimidin-4-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-2-phenyl-1-(2-phenylpyrimidin-4-yl)ethyl]carbamate
PubChem CID101394448
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Nametert-butyl N-[(1S)-2-phenyl-1-(2-phenylpyrimidin-4-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1ccnc(-c2ccccc2)n1
InChIInChI=1S/C23H25N3O2/c1-23(2,3)28-22(27)26-20(16-17-10-6-4-7-11-17)19-14-15-24-21(25-19)18-12-8-5-9-13-18/h4-15,20H,16H2,1-3H3,(H,26,27)/t20-/m0/s1
InChIKeyLPZKSSJSURBMOF-FQEVSTJZSA-N
XLogP4.95
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[2-amino-1-(2-methylpyrimidin-4-yl)ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-2-phenyl-1-(2-phenylpyrimidin-4-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-2-phenyl-1-(2-phenylpyrimidin-4-yl)ethyl]carbamate (CID 101394448) is tert-butyl N-[(1S)-2-phenyl-1-(2-phenylpyrimidin-4-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-2-phenyl-1-(2-phenylpyrimidin-4-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-2-phenyl-1-(2-phenylpyrimidin-4-yl)ethyl]carbamate is CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1ccnc(-c2ccccc2)n1.
What is the InChIKey of tert-butyl N-[(1S)-2-phenyl-1-(2-phenylpyrimidin-4-yl)ethyl]carbamate?
The InChIKey is LPZKSSJSURBMOF-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-23(2,3)28-22(27)26-20(16-17-10-6-4-7-11-17)19-14-15-24-21(25-19)18-12-8-5-9-13-18/h4-15,20H,16H2,1-3H3,(H,26,27)/t20-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-2-phenyl-1-(2-phenylpyrimidin-4-yl)ethyl]carbamate?
tert-butyl N-[(1S)-2-phenyl-1-(2-phenylpyrimidin-4-yl)ethyl]carbamate has a molecular weight of 375.47 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-2-phenyl-1-(2-phenylpyrimidin-4-yl)ethyl]carbamate is sourced from PubChem (CID 101394448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).