tert-butyl N-(2-oxo-2-pyrimidin-5-ylethyl)carbamate

C11H15N3O3 — CID 138987299

IUPACtert-butyl N-(2-oxo-2-pyrimidin-5-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)c1cncnc1
InChIInChI=1S/C11H15N3O3/c1-11(2,3)17-10(16)14-6-9(15)8-4-12-7-13-5-8/h4-5,7H,6H2,1-3H3,(H,14,16)
InChIKeyUREOAKAZYUGOEX-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.18
Rot. Bonds3

About tert-butyl N-(2-oxo-2-pyrimidin-5-ylethyl)carbamate

tert-butyl N-(2-oxo-2-pyrimidin-5-ylethyl)carbamate (PubChem CID 138987299) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is tert-butyl N-(2-oxo-2-pyrimidin-5-ylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-oxo-2-pyrimidin-5-ylethyl)carbamate
PubChem CID138987299
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Nametert-butyl N-(2-oxo-2-pyrimidin-5-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)c1cncnc1
InChIInChI=1S/C11H15N3O3/c1-11(2,3)17-10(16)14-6-9(15)8-4-12-7-13-5-8/h4-5,7H,6H2,1-3H3,(H,14,16)
InChIKeyUREOAKAZYUGOEX-UHFFFAOYSA-N
XLogP1.18
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-oxo-2-(1,2-thiazol-4-yl)ethyl]carbamate
CID 165467941
tert-butyl N-[2-[6-(dimethylamino)-3-pyridinyl]-2-oxoethyl]carbamate
CID 54302318
tert-butyl N-[2-(pyrimidin-5-ylmethylamino)ethyl]carbamate
CID 103740122
tert-butyl N-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]carbamate
CID 165468430
tert-butyl N-(2-amino-2-pyrimidin-5-ylethyl)carbamate
CID 76845177
tert-butyl N-[(2R)-2-amino-2-pyrimidin-5-ylethyl]carbamate
CID 99905265
methyl 6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyridine-3-carboxylate
CID 21064712
tert-butyl N-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]carbamate
CID 16740549
tert-butyl N-[(E)-4-(pyrimidin-5-ylmethylamino)but-2-enyl]carbamate
CID 107252697
tert-butyl N-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]-2-oxoethyl]carbamate
CID 154575082
2-[2-(carboxymethoxy)-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetic acid
CID 67246765
tert-butyl N-[2-(3-methyl-1,2-thiazol-5-yl)-2-oxoethyl]carbamate
CID 165464788

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-oxo-2-pyrimidin-5-ylethyl)carbamate?
The IUPAC name of tert-butyl N-(2-oxo-2-pyrimidin-5-ylethyl)carbamate (CID 138987299) is tert-butyl N-(2-oxo-2-pyrimidin-5-ylethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-oxo-2-pyrimidin-5-ylethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-oxo-2-pyrimidin-5-ylethyl)carbamate is CC(C)(C)OC(=O)NCC(=O)c1cncnc1.
What is the InChIKey of tert-butyl N-(2-oxo-2-pyrimidin-5-ylethyl)carbamate?
The InChIKey is UREOAKAZYUGOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-11(2,3)17-10(16)14-6-9(15)8-4-12-7-13-5-8/h4-5,7H,6H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl N-(2-oxo-2-pyrimidin-5-ylethyl)carbamate?
tert-butyl N-(2-oxo-2-pyrimidin-5-ylethyl)carbamate has a molecular weight of 237.26 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-oxo-2-pyrimidin-5-ylethyl)carbamate is sourced from PubChem (CID 138987299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).