tert-butyl N-[(6-oxo-1H-pyrimidin-5-yl)methyl]carbamate

C10H15N3O3 — CID 22308429

IUPACtert-butyl N-[(6-oxo-1H-pyrimidin-5-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cnc[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-10(2,3)16-9(15)12-5-7-4-11-6-13-8(7)14/h4,6H,5H2,1-3H3,(H,12,15)(H,11,13,14)
InChIKeyQFURUNLQAUWNOI-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.79
Rot. Bonds2

About tert-butyl N-[(6-oxo-1H-pyrimidin-5-yl)methyl]carbamate

tert-butyl N-[(6-oxo-1H-pyrimidin-5-yl)methyl]carbamate (PubChem CID 22308429) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is tert-butyl N-[(6-oxo-1H-pyrimidin-5-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(6-oxo-1H-pyrimidin-5-yl)methyl]carbamate
PubChem CID22308429
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Nametert-butyl N-[(6-oxo-1H-pyrimidin-5-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cnc[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-10(2,3)16-9(15)12-5-7-4-11-6-13-8(7)14/h4,6H,5H2,1-3H3,(H,12,15)(H,11,13,14)
InChIKeyQFURUNLQAUWNOI-UHFFFAOYSA-N
XLogP0.79
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(6-oxo-1H-pyrimidin-5-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(6-oxo-1H-pyrimidin-5-yl)methyl]carbamate (CID 22308429) is tert-butyl N-[(6-oxo-1H-pyrimidin-5-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(6-oxo-1H-pyrimidin-5-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(6-oxo-1H-pyrimidin-5-yl)methyl]carbamate is CC(C)(C)OC(=O)NCc1cnc[nH]c1=O.
What is the InChIKey of tert-butyl N-[(6-oxo-1H-pyrimidin-5-yl)methyl]carbamate?
The InChIKey is QFURUNLQAUWNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-10(2,3)16-9(15)12-5-7-4-11-6-13-8(7)14/h4,6H,5H2,1-3H3,(H,12,15)(H,11,13,14).
What are the key properties of tert-butyl N-[(6-oxo-1H-pyrimidin-5-yl)methyl]carbamate?
tert-butyl N-[(6-oxo-1H-pyrimidin-5-yl)methyl]carbamate has a molecular weight of 225.25 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(6-oxo-1H-pyrimidin-5-yl)methyl]carbamate is sourced from PubChem (CID 22308429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).