tert-butyl N-(4-pyrimidin-4-yloxyphenyl)carbamate

C15H17N3O3 — CID 133058698

IUPACtert-butyl N-(4-pyrimidin-4-yloxyphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Oc2ccncn2)cc1
InChIInChI=1S/C15H17N3O3/c1-15(2,3)21-14(19)18-11-4-6-12(7-5-11)20-13-8-9-16-10-17-13/h4-10H,1-3H3,(H,18,19)
InChIKeyHHZULTRWKPSBDJ-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.62
Rot. Bonds3

About tert-butyl N-(4-pyrimidin-4-yloxyphenyl)carbamate

tert-butyl N-(4-pyrimidin-4-yloxyphenyl)carbamate (PubChem CID 133058698) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is tert-butyl N-(4-pyrimidin-4-yloxyphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-pyrimidin-4-yloxyphenyl)carbamate
PubChem CID133058698
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Nametert-butyl N-(4-pyrimidin-4-yloxyphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Oc2ccncn2)cc1
InChIInChI=1S/C15H17N3O3/c1-15(2,3)21-14(19)18-11-4-6-12(7-5-11)20-13-8-9-16-10-17-13/h4-10H,1-3H3,(H,18,19)
InChIKeyHHZULTRWKPSBDJ-UHFFFAOYSA-N
XLogP3.62
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

trimethyl-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]pyrimidin-2-yl]azanium
CID 58917187
1-(4-methoxyphenyl)-3-(4-pyrimidin-4-yloxyphenyl)urea
CID 58930976
4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]pyrimidine
CID 165349057
tert-butyl N-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]carbamate
CID 133057700
tert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 17340467
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(4-pyrimidin-4-yloxyphenyl)urea
CID 25231150
tert-butyl N-[3-[[6-(4-phenoxyphenoxy)pyrimidin-4-yl]amino]phenyl]carbamate
CID 70843625
tert-butyl N-[4-(bromomethoxy)phenyl]carbamate
CID 142798016
N-(4-pyrimidin-4-yloxyphenyl)-2-(3,3,3-trifluoropropylsulfonyl)acetamide
CID 155959198
tert-butyl N-[4-(2-deuteriopyrimidin-4-yl)phenyl]carbamate
CID 175733927
tert-butyl N-[3-(2-aminopyrimidin-4-yl)oxyphenyl]carbamate
CID 133062095
tert-butyl N-[4-[(5-cyano-1,3-thiazol-2-yl)oxy]phenyl]carbamate
CID 69433893

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-pyrimidin-4-yloxyphenyl)carbamate?
The IUPAC name of tert-butyl N-(4-pyrimidin-4-yloxyphenyl)carbamate (CID 133058698) is tert-butyl N-(4-pyrimidin-4-yloxyphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-pyrimidin-4-yloxyphenyl)carbamate?
The canonical SMILES for tert-butyl N-(4-pyrimidin-4-yloxyphenyl)carbamate is CC(C)(C)OC(=O)Nc1ccc(Oc2ccncn2)cc1.
What is the InChIKey of tert-butyl N-(4-pyrimidin-4-yloxyphenyl)carbamate?
The InChIKey is HHZULTRWKPSBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-15(2,3)21-14(19)18-11-4-6-12(7-5-11)20-13-8-9-16-10-17-13/h4-10H,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-(4-pyrimidin-4-yloxyphenyl)carbamate?
tert-butyl N-(4-pyrimidin-4-yloxyphenyl)carbamate has a molecular weight of 287.32 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-pyrimidin-4-yloxyphenyl)carbamate is sourced from PubChem (CID 133058698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).