tert-butyl 2-(6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate

C13H20N4O3 — CID 169083058

IUPACtert-butyl 2-(6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNCC1c1cnc[nH]c1=O
InChIInChI=1S/C13H20N4O3/c1-13(2,3)20-12(19)17-5-4-14-7-10(17)9-6-15-8-16-11(9)18/h6,8,10,14H,4-5,7H2,1-3H3,(H,15,16,18)
InChIKeyAICNFESFVAVVLI-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.65
Rot. Bonds1

About tert-butyl 2-(6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate

tert-butyl 2-(6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate (PubChem CID 169083058) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is tert-butyl 2-(6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate
PubChem CID169083058
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Nametert-butyl 2-(6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNCC1c1cnc[nH]c1=O
InChIInChI=1S/C13H20N4O3/c1-13(2,3)20-12(19)17-5-4-14-7-10(17)9-6-15-8-16-11(9)18/h6,8,10,14H,4-5,7H2,1-3H3,(H,15,16,18)
InChIKeyAICNFESFVAVVLI-UHFFFAOYSA-N
XLogP0.65
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-(6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (2S)-2-(1H-imidazol-5-yl)pyrrolidine-1-carboxylate
CID 114986170
tert-butyl (2S)-2-(4-chlorophenyl)piperazine-1-carboxylate
CID 51556790
tert-butyl 2-(4-amino-2-fluoro-3-methoxyphenyl)piperazine-1-carboxylate
CID 176897650
tert-butyl 2-(1-benzofuran-4-yl)piperazine-1-carboxylate
CID 22277253
tert-butyl 2-hydroxypiperazine-1-carboxylate
CID 45358354
tert-butyl 2-(4-bromo-2-nitrophenyl)piperazine-1-carboxylate
CID 90909881
tert-butyl 2-methoxypiperazine-1-carboxylate
CID 101126129
tert-butyl (2S)-2-methylsulfanylpiperazine-1-carboxylate
CID 97170570
tert-butyl 2-(2-oxoethyl)piperazine-1-carboxylate
CID 156743978
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carbonyl]benzoic acid
CID 141001092
tert-butyl 2-(6-chloro-2,8-difluoroquinazolin-4-yl)piperazine-1-carboxylate
CID 175980399
tert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride
CID 45072229

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 2-(6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate (CID 169083058) is tert-butyl 2-(6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCNCC1c1cnc[nH]c1=O.
What is the InChIKey of tert-butyl 2-(6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate?
The InChIKey is AICNFESFVAVVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-13(2,3)20-12(19)17-5-4-14-7-10(17)9-6-15-8-16-11(9)18/h6,8,10,14H,4-5,7H2,1-3H3,(H,15,16,18).
What are the key properties of tert-butyl 2-(6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate?
tert-butyl 2-(6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate has a molecular weight of 280.33 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate is sourced from PubChem (CID 169083058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).