tert-butyl 2-(2-hydroxyethyl)-6-oxopyrimidine-1-carboxylate

C11H16N2O4 — CID 144913835

IUPACtert-butyl 2-(2-hydroxyethyl)-6-oxopyrimidine-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c(CCO)nccc1=O
InChIInChI=1S/C11H16N2O4/c1-11(2,3)17-10(16)13-8(5-7-14)12-6-4-9(13)15/h4,6,14H,5,7H2,1-3H3
InChIKeyQFJWYYMIDWWPQL-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.56
Rot. Bonds2

About tert-butyl 2-(2-hydroxyethyl)-6-oxopyrimidine-1-carboxylate

tert-butyl 2-(2-hydroxyethyl)-6-oxopyrimidine-1-carboxylate (PubChem CID 144913835) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is tert-butyl 2-(2-hydroxyethyl)-6-oxopyrimidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-hydroxyethyl)-6-oxopyrimidine-1-carboxylate
PubChem CID144913835
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Nametert-butyl 2-(2-hydroxyethyl)-6-oxopyrimidine-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c(CCO)nccc1=O
InChIInChI=1S/C11H16N2O4/c1-11(2,3)17-10(16)13-8(5-7-14)12-6-4-9(13)15/h4,6,14H,5,7H2,1-3H3
InChIKeyQFJWYYMIDWWPQL-UHFFFAOYSA-N
XLogP0.56
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-hydroxyethyl)-6-oxopyrimidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-hydroxyethyl)-6-oxopyrimidine-1-carboxylate (CID 144913835) is tert-butyl 2-(2-hydroxyethyl)-6-oxopyrimidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-hydroxyethyl)-6-oxopyrimidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-hydroxyethyl)-6-oxopyrimidine-1-carboxylate is CC(C)(C)OC(=O)n1c(CCO)nccc1=O.
What is the InChIKey of tert-butyl 2-(2-hydroxyethyl)-6-oxopyrimidine-1-carboxylate?
The InChIKey is QFJWYYMIDWWPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-11(2,3)17-10(16)13-8(5-7-14)12-6-4-9(13)15/h4,6,14H,5,7H2,1-3H3.
What are the key properties of tert-butyl 2-(2-hydroxyethyl)-6-oxopyrimidine-1-carboxylate?
tert-butyl 2-(2-hydroxyethyl)-6-oxopyrimidine-1-carboxylate has a molecular weight of 240.26 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-hydroxyethyl)-6-oxopyrimidine-1-carboxylate is sourced from PubChem (CID 144913835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).