tert-butyl 4-(6-tert-butylpyrimidin-4-yl)piperazine-1-carboxylate

C17H28N4O2 — CID 126850013

IUPACtert-butyl 4-(6-tert-butylpyrimidin-4-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cc(C(C)(C)C)ncn2)CC1
InChIInChI=1S/C17H28N4O2/c1-16(2,3)13-11-14(19-12-18-13)20-7-9-21(10-8-20)15(22)23-17(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyUFEIDXBCBMPAEK-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.83
Rot. Bonds1

About tert-butyl 4-(6-tert-butylpyrimidin-4-yl)piperazine-1-carboxylate

tert-butyl 4-(6-tert-butylpyrimidin-4-yl)piperazine-1-carboxylate (PubChem CID 126850013) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is tert-butyl 4-(6-tert-butylpyrimidin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-tert-butylpyrimidin-4-yl)piperazine-1-carboxylate
PubChem CID126850013
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Nametert-butyl 4-(6-tert-butylpyrimidin-4-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cc(C(C)(C)C)ncn2)CC1
InChIInChI=1S/C17H28N4O2/c1-16(2,3)13-11-14(19-12-18-13)20-7-9-21(10-8-20)15(22)23-17(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyUFEIDXBCBMPAEK-UHFFFAOYSA-N
XLogP2.83
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-(6-tert-butylpyrimidin-4-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 4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 70812514
tert-butyl 4-(6-ethylpyrimidin-4-yl)piperazine-1-carboxylate
CID 86690166
tert-butyl 4-(6-methoxypyrimidin-4-yl)-1,4-diazepane-1-carboxylate
CID 171997599
tert-butyl 4-(6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxylate
CID 66748395
tert-butyl 4-(6-pentan-3-ylpyrimidin-4-yl)piperazine-1-carboxylate
CID 126849691
tert-butyl 4-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]piperazine-1-carboxylate
CID 66747847
tert-butyl N-[1-(6-tert-butylpyrimidin-4-yl)piperidin-4-yl]carbamate
CID 126850002
tert-butyl 4-[6-(oxolan-3-yl)pyrimidin-4-yl]-1,4-diazepane-1-carboxylate
CID 126849871
tert-butyl 4-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 66693151
tert-butyl 4-[6-(butan-2-ylcarbamoylamino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 155962552
tert-butyl 4-(5,6-dimethylpyridazin-3-yl)piperazine-1-carboxylate;ethane
CID 143735501
tert-butyl N-[1-(6-tert-butylpyrimidin-4-yl)piperidin-3-yl]carbamate
CID 126849999

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-tert-butylpyrimidin-4-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-tert-butylpyrimidin-4-yl)piperazine-1-carboxylate (CID 126850013) is tert-butyl 4-(6-tert-butylpyrimidin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-tert-butylpyrimidin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-tert-butylpyrimidin-4-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2cc(C(C)(C)C)ncn2)CC1.
What is the InChIKey of tert-butyl 4-(6-tert-butylpyrimidin-4-yl)piperazine-1-carboxylate?
The InChIKey is UFEIDXBCBMPAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-16(2,3)13-11-14(19-12-18-13)20-7-9-21(10-8-20)15(22)23-17(4,5)6/h11-12H,7-10H2,1-6H3.
What are the key properties of tert-butyl 4-(6-tert-butylpyrimidin-4-yl)piperazine-1-carboxylate?
tert-butyl 4-(6-tert-butylpyrimidin-4-yl)piperazine-1-carboxylate has a molecular weight of 320.44 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-tert-butylpyrimidin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 126850013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).