tert-butyl N-[2-[(2-oxo-1H-pyrimidin-6-yl)oxy]phenyl]carbamate

C15H17N3O4 — CID 133061156

IUPACtert-butyl N-[2-[(2-oxo-1H-pyrimidin-6-yl)oxy]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1Oc1ccnc(=O)[nH]1
InChIInChI=1S/C15H17N3O4/c1-15(2,3)22-14(20)17-10-6-4-5-7-11(10)21-12-8-9-16-13(19)18-12/h4-9H,1-3H3,(H,17,20)(H,16,18,19)
InChIKeyQPZVQKUMJBRIAQ-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.91
Rot. Bonds3

About tert-butyl N-[2-[(2-oxo-1H-pyrimidin-6-yl)oxy]phenyl]carbamate

tert-butyl N-[2-[(2-oxo-1H-pyrimidin-6-yl)oxy]phenyl]carbamate (PubChem CID 133061156) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-oxo-1H-pyrimidin-6-yl)oxy]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-oxo-1H-pyrimidin-6-yl)oxy]phenyl]carbamate
PubChem CID133061156
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Nametert-butyl N-[2-[(2-oxo-1H-pyrimidin-6-yl)oxy]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1Oc1ccnc(=O)[nH]1
InChIInChI=1S/C15H17N3O4/c1-15(2,3)22-14(20)17-10-6-4-5-7-11(10)21-12-8-9-16-13(19)18-12/h4-9H,1-3H3,(H,17,20)(H,16,18,19)
InChIKeyQPZVQKUMJBRIAQ-UHFFFAOYSA-N
XLogP2.91
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-oxo-1H-pyrimidin-6-yl)oxy]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-oxo-1H-pyrimidin-6-yl)oxy]phenyl]carbamate (CID 133061156) is tert-butyl N-[2-[(2-oxo-1H-pyrimidin-6-yl)oxy]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-oxo-1H-pyrimidin-6-yl)oxy]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-oxo-1H-pyrimidin-6-yl)oxy]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccccc1Oc1ccnc(=O)[nH]1.
What is the InChIKey of tert-butyl N-[2-[(2-oxo-1H-pyrimidin-6-yl)oxy]phenyl]carbamate?
The InChIKey is QPZVQKUMJBRIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-15(2,3)22-14(20)17-10-6-4-5-7-11(10)21-12-8-9-16-13(19)18-12/h4-9H,1-3H3,(H,17,20)(H,16,18,19).
What are the key properties of tert-butyl N-[2-[(2-oxo-1H-pyrimidin-6-yl)oxy]phenyl]carbamate?
tert-butyl N-[2-[(2-oxo-1H-pyrimidin-6-yl)oxy]phenyl]carbamate has a molecular weight of 303.32 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2-oxo-1H-pyrimidin-6-yl)oxy]phenyl]carbamate is sourced from PubChem (CID 133061156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).