tert-butyl N-[1-(6-butan-2-ylpyrimidin-4-yl)azetidin-3-yl]-N-methylcarbamate

C17H28N4O2 — CID 126849818

IUPACtert-butyl N-[1-(6-butan-2-ylpyrimidin-4-yl)azetidin-3-yl]-N-methylcarbamate
SMILESCCC(C)c1cc(N2CC(N(C)C(=O)OC(C)(C)C)C2)ncn1
InChIInChI=1S/C17H28N4O2/c1-7-12(2)14-8-15(19-11-18-14)21-9-13(10-21)20(6)16(22)23-17(3,4)5/h8,11-13H,7,9-10H2,1-6H3
InChIKeyZOZCTPOGQAAOPR-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.05
Rot. Bonds4

About tert-butyl N-[1-(6-butan-2-ylpyrimidin-4-yl)azetidin-3-yl]-N-methylcarbamate

tert-butyl N-[1-(6-butan-2-ylpyrimidin-4-yl)azetidin-3-yl]-N-methylcarbamate (PubChem CID 126849818) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is tert-butyl N-[1-(6-butan-2-ylpyrimidin-4-yl)azetidin-3-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(6-butan-2-ylpyrimidin-4-yl)azetidin-3-yl]-N-methylcarbamate
PubChem CID126849818
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Nametert-butyl N-[1-(6-butan-2-ylpyrimidin-4-yl)azetidin-3-yl]-N-methylcarbamate
SMILESCCC(C)c1cc(N2CC(N(C)C(=O)OC(C)(C)C)C2)ncn1
InChIInChI=1S/C17H28N4O2/c1-7-12(2)14-8-15(19-11-18-14)21-9-13(10-21)20(6)16(22)23-17(3,4)5/h8,11-13H,7,9-10H2,1-6H3
InChIKeyZOZCTPOGQAAOPR-UHFFFAOYSA-N
XLogP3.05
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-methyl-N-[1-[6-(2-methylbutan-2-yl)pyrimidin-4-yl]azetidin-3-yl]carbamate
CID 126849602
tert-butyl N-[1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]azetidin-3-yl]-N-methylcarbamate
CID 126849629
tert-butyl N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate
CID 66569666
tert-butyl N-methyl-N-[1-[6-(oxolan-2-yl)pyrimidin-4-yl]azetidin-3-yl]carbamate
CID 126849898
tert-butyl N-methyl-N-[1-(2-methyl-4-pyridinyl)azetidin-3-yl]carbamate
CID 66805338
tert-butyl N-methyl-N-[1-(6-methylpyridazin-3-yl)azetidin-3-yl]carbamate
CID 146078134
tert-butyl N-[(3S)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-methylcarbamate
CID 86331482
1-(6-butan-2-ylpyrimidin-4-yl)piperidin-4-one
CID 126848690
tert-butyl 4-(6-pentan-3-ylpyrimidin-4-yl)piperazine-1-carboxylate
CID 126849691
tert-butyl N-[1-(6-pentan-3-ylpyrimidin-4-yl)piperidin-4-yl]carbamate
CID 126849680
tert-butyl N-[1-(2,7-dichloropyrido[2,3-b]pyrazin-3-yl)azetidin-3-yl]-N-methylcarbamate
CID 131741448
6-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]pyridazine-3-carboxylic acid
CID 175506304

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(6-butan-2-ylpyrimidin-4-yl)azetidin-3-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-(6-butan-2-ylpyrimidin-4-yl)azetidin-3-yl]-N-methylcarbamate (CID 126849818) is tert-butyl N-[1-(6-butan-2-ylpyrimidin-4-yl)azetidin-3-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-(6-butan-2-ylpyrimidin-4-yl)azetidin-3-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-(6-butan-2-ylpyrimidin-4-yl)azetidin-3-yl]-N-methylcarbamate is CCC(C)c1cc(N2CC(N(C)C(=O)OC(C)(C)C)C2)ncn1.
What is the InChIKey of tert-butyl N-[1-(6-butan-2-ylpyrimidin-4-yl)azetidin-3-yl]-N-methylcarbamate?
The InChIKey is ZOZCTPOGQAAOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-7-12(2)14-8-15(19-11-18-14)21-9-13(10-21)20(6)16(22)23-17(3,4)5/h8,11-13H,7,9-10H2,1-6H3.
What are the key properties of tert-butyl N-[1-(6-butan-2-ylpyrimidin-4-yl)azetidin-3-yl]-N-methylcarbamate?
tert-butyl N-[1-(6-butan-2-ylpyrimidin-4-yl)azetidin-3-yl]-N-methylcarbamate has a molecular weight of 320.44 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(6-butan-2-ylpyrimidin-4-yl)azetidin-3-yl]-N-methylcarbamate is sourced from PubChem (CID 126849818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).