tert-butyl N-[1-[(5-oxo-4,6-dihydro-1H-pyrimidin-2-yl)amino]propan-2-yl]carbamate

C12H22N4O3 — CID 123968448

IUPACtert-butyl N-[1-[(5-oxo-4,6-dihydro-1H-pyrimidin-2-yl)amino]propan-2-yl]carbamate
SMILESCC(CNC1=NCC(=O)CN1)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H22N4O3/c1-8(16-11(18)19-12(2,3)4)5-13-10-14-6-9(17)7-15-10/h8H,5-7H2,1-4H3,(H,16,18)(H2,13,14,15)
InChIKeyCGYAUHPUVYNMLI-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.02
Rot. Bonds3

About tert-butyl N-[1-[(5-oxo-4,6-dihydro-1H-pyrimidin-2-yl)amino]propan-2-yl]carbamate

tert-butyl N-[1-[(5-oxo-4,6-dihydro-1H-pyrimidin-2-yl)amino]propan-2-yl]carbamate (PubChem CID 123968448) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is tert-butyl N-[1-[(5-oxo-4,6-dihydro-1H-pyrimidin-2-yl)amino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(5-oxo-4,6-dihydro-1H-pyrimidin-2-yl)amino]propan-2-yl]carbamate
PubChem CID123968448
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Nametert-butyl N-[1-[(5-oxo-4,6-dihydro-1H-pyrimidin-2-yl)amino]propan-2-yl]carbamate
SMILESCC(CNC1=NCC(=O)CN1)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H22N4O3/c1-8(16-11(18)19-12(2,3)4)5-13-10-14-6-9(17)7-15-10/h8H,5-7H2,1-4H3,(H,16,18)(H2,13,14,15)
InChIKeyCGYAUHPUVYNMLI-UHFFFAOYSA-N
XLogP0.02
TPSA91.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[1-[(5-oxo-4,6-dihydro-1H-pyrimidin-2-yl)amino]propan-2-yl]carbamate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(5-oxo-4,6-dihydro-1H-pyrimidin-2-yl)amino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(5-oxo-4,6-dihydro-1H-pyrimidin-2-yl)amino]propan-2-yl]carbamate (CID 123968448) is tert-butyl N-[1-[(5-oxo-4,6-dihydro-1H-pyrimidin-2-yl)amino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(5-oxo-4,6-dihydro-1H-pyrimidin-2-yl)amino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(5-oxo-4,6-dihydro-1H-pyrimidin-2-yl)amino]propan-2-yl]carbamate is CC(CNC1=NCC(=O)CN1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[(5-oxo-4,6-dihydro-1H-pyrimidin-2-yl)amino]propan-2-yl]carbamate?
The InChIKey is CGYAUHPUVYNMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-8(16-11(18)19-12(2,3)4)5-13-10-14-6-9(17)7-15-10/h8H,5-7H2,1-4H3,(H,16,18)(H2,13,14,15).
What are the key properties of tert-butyl N-[1-[(5-oxo-4,6-dihydro-1H-pyrimidin-2-yl)amino]propan-2-yl]carbamate?
tert-butyl N-[1-[(5-oxo-4,6-dihydro-1H-pyrimidin-2-yl)amino]propan-2-yl]carbamate has a molecular weight of 270.33 g/mol, XLogP of 0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(5-oxo-4,6-dihydro-1H-pyrimidin-2-yl)amino]propan-2-yl]carbamate is sourced from PubChem (CID 123968448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).