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

C18H30N4O2 — CID 126849602

IUPACtert-butyl N-methyl-N-[1-[6-(2-methylbutan-2-yl)pyrimidin-4-yl]azetidin-3-yl]carbamate
SMILESCCC(C)(C)c1cc(N2CC(N(C)C(=O)OC(C)(C)C)C2)ncn1
InChIInChI=1S/C18H30N4O2/c1-8-18(5,6)14-9-15(20-12-19-14)22-10-13(11-22)21(7)16(23)24-17(2,3)4/h9,12-13H,8,10-11H2,1-7H3
InChIKeyUPFLJKJSIYTIFK-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.22
Rot. Bonds4

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

tert-butyl N-methyl-N-[1-[6-(2-methylbutan-2-yl)pyrimidin-4-yl]azetidin-3-yl]carbamate (PubChem CID 126849602) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[1-[6-(2-methylbutan-2-yl)pyrimidin-4-yl]azetidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[1-[6-(2-methylbutan-2-yl)pyrimidin-4-yl]azetidin-3-yl]carbamate
PubChem CID126849602
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Nametert-butyl N-methyl-N-[1-[6-(2-methylbutan-2-yl)pyrimidin-4-yl]azetidin-3-yl]carbamate
SMILESCCC(C)(C)c1cc(N2CC(N(C)C(=O)OC(C)(C)C)C2)ncn1
InChIInChI=1S/C18H30N4O2/c1-8-18(5,6)14-9-15(20-12-19-14)22-10-13(11-22)21(7)16(23)24-17(2,3)4/h9,12-13H,8,10-11H2,1-7H3
InChIKeyUPFLJKJSIYTIFK-UHFFFAOYSA-N
XLogP3.22
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-methyl-N-[1-[6-(2-methylbutan-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-[1-(6-butan-2-ylpyrimidin-4-yl)azetidin-3-yl]-N-methylcarbamate
CID 126849818
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-(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
ethyl 1-[6-(2-methylbutan-2-yl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 126849604
tert-butyl N-methyl-N-[1-(2-methyl-4-pyridinyl)azetidin-3-yl]carbamate
CID 66805338
tert-butyl N-[(3R)-1-(5-iodo-2-pyridinyl)pyrrolidin-3-yl]-N-methylcarbamate
CID 59704510
tert-butyl N-[1-[2,6-bis(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-N-methylcarbamate
CID 103595911
tert-butyl N-[1-(6-chloro-2-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate
CID 175640149
tert-butyl N-[1-(2-amino-6-chloropyrimidin-4-yl)-5-methylpiperidin-3-yl]-N-methylcarbamate
CID 75630745

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[1-[6-(2-methylbutan-2-yl)pyrimidin-4-yl]azetidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[1-[6-(2-methylbutan-2-yl)pyrimidin-4-yl]azetidin-3-yl]carbamate (CID 126849602) is tert-butyl N-methyl-N-[1-[6-(2-methylbutan-2-yl)pyrimidin-4-yl]azetidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[1-[6-(2-methylbutan-2-yl)pyrimidin-4-yl]azetidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[1-[6-(2-methylbutan-2-yl)pyrimidin-4-yl]azetidin-3-yl]carbamate is CCC(C)(C)c1cc(N2CC(N(C)C(=O)OC(C)(C)C)C2)ncn1.
What is the InChIKey of tert-butyl N-methyl-N-[1-[6-(2-methylbutan-2-yl)pyrimidin-4-yl]azetidin-3-yl]carbamate?
The InChIKey is UPFLJKJSIYTIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-8-18(5,6)14-9-15(20-12-19-14)22-10-13(11-22)21(7)16(23)24-17(2,3)4/h9,12-13H,8,10-11H2,1-7H3.
What are the key properties of tert-butyl N-methyl-N-[1-[6-(2-methylbutan-2-yl)pyrimidin-4-yl]azetidin-3-yl]carbamate?
tert-butyl N-methyl-N-[1-[6-(2-methylbutan-2-yl)pyrimidin-4-yl]azetidin-3-yl]carbamate has a molecular weight of 334.46 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[1-[6-(2-methylbutan-2-yl)pyrimidin-4-yl]azetidin-3-yl]carbamate is sourced from PubChem (CID 126849602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).