tert-butyl N-methyl-N-[1-[6-(oxolan-2-yl)pyrimidin-4-yl]azetidin-3-yl]carbamate

C17H26N4O3 — CID 126849898

IUPACtert-butyl N-methyl-N-[1-[6-(oxolan-2-yl)pyrimidin-4-yl]azetidin-3-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CN(c2cc(C3CCCO3)ncn2)C1
InChIInChI=1S/C17H26N4O3/c1-17(2,3)24-16(22)20(4)12-9-21(10-12)15-8-13(18-11-19-15)14-6-5-7-23-14/h8,11-12,14H,5-7,9-10H2,1-4H3
InChIKeyUTPPWBHBIJQTPM-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.38
Rot. Bonds3

About tert-butyl N-methyl-N-[1-[6-(oxolan-2-yl)pyrimidin-4-yl]azetidin-3-yl]carbamate

tert-butyl N-methyl-N-[1-[6-(oxolan-2-yl)pyrimidin-4-yl]azetidin-3-yl]carbamate (PubChem CID 126849898) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[1-[6-(oxolan-2-yl)pyrimidin-4-yl]azetidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[1-[6-(oxolan-2-yl)pyrimidin-4-yl]azetidin-3-yl]carbamate
PubChem CID126849898
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Nametert-butyl N-methyl-N-[1-[6-(oxolan-2-yl)pyrimidin-4-yl]azetidin-3-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CN(c2cc(C3CCCO3)ncn2)C1
InChIInChI=1S/C17H26N4O3/c1-17(2,3)24-16(22)20(4)12-9-21(10-12)15-8-13(18-11-19-15)14-6-5-7-23-14/h8,11-12,14H,5-7,9-10H2,1-4H3
InChIKeyUTPPWBHBIJQTPM-UHFFFAOYSA-N
XLogP2.38
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-methyl-N-[1-[6-(oxolan-2-yl)pyrimidin-4-yl]azetidin-3-yl]carbamate 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 N-[1-[6-(2,2-dimethylpropyl)pyrimidin-4-yl]azetidin-3-yl]-N-methylcarbamate
CID 126849629
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-butan-2-ylpyrimidin-4-yl)azetidin-3-yl]-N-methylcarbamate
CID 126849818
4-(oxolan-2-yl)-6-pyrrolidin-1-ylpyrimidine
CID 126848843
tert-butyl N-[(3S)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-methylcarbamate
CID 86331482
tert-butyl N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate
CID 66569666
ethyl 1-[6-(oxolan-2-yl)pyrimidin-4-yl]piperidine-3-carboxylate
CID 126849901
tert-butyl N-methyl-N-[1-(6-methylpyridazin-3-yl)azetidin-3-yl]carbamate
CID 146078134
tert-butyl N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]carbamate
CID 97166902
tert-butyl N-methyl-N-[1-(2-methyl-4-pyridinyl)azetidin-3-yl]carbamate
CID 66805338
tert-butyl N-methyl-N-[(3R)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidin-3-yl]carbamate
CID 165119706
tert-butyl N-methyl-N-[1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidin-4-yl]carbamate
CID 66805506

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[1-[6-(oxolan-2-yl)pyrimidin-4-yl]azetidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[1-[6-(oxolan-2-yl)pyrimidin-4-yl]azetidin-3-yl]carbamate (CID 126849898) is tert-butyl N-methyl-N-[1-[6-(oxolan-2-yl)pyrimidin-4-yl]azetidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[1-[6-(oxolan-2-yl)pyrimidin-4-yl]azetidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[1-[6-(oxolan-2-yl)pyrimidin-4-yl]azetidin-3-yl]carbamate is CN(C(=O)OC(C)(C)C)C1CN(c2cc(C3CCCO3)ncn2)C1.
What is the InChIKey of tert-butyl N-methyl-N-[1-[6-(oxolan-2-yl)pyrimidin-4-yl]azetidin-3-yl]carbamate?
The InChIKey is UTPPWBHBIJQTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-17(2,3)24-16(22)20(4)12-9-21(10-12)15-8-13(18-11-19-15)14-6-5-7-23-14/h8,11-12,14H,5-7,9-10H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-[1-[6-(oxolan-2-yl)pyrimidin-4-yl]azetidin-3-yl]carbamate?
tert-butyl N-methyl-N-[1-[6-(oxolan-2-yl)pyrimidin-4-yl]azetidin-3-yl]carbamate has a molecular weight of 334.42 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[1-[6-(oxolan-2-yl)pyrimidin-4-yl]azetidin-3-yl]carbamate is sourced from PubChem (CID 126849898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).