tert-butyl 3-[6-[2-methoxyethyl(methyl)amino]pyrimidin-4-yl]azetidine-1-carboxylate

C16H26N4O3 — CID 126836767

IUPACtert-butyl 3-[6-[2-methoxyethyl(methyl)amino]pyrimidin-4-yl]azetidine-1-carboxylate
SMILESCOCCN(C)c1cc(C2CN(C(=O)OC(C)(C)C)C2)ncn1
InChIInChI=1S/C16H26N4O3/c1-16(2,3)23-15(21)20-9-12(10-20)13-8-14(18-11-17-13)19(4)6-7-22-5/h8,11-12H,6-7,9-10H2,1-5H3
InChIKeyFXCKMJMOGKKFPV-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.89
Rot. Bonds5

About tert-butyl 3-[6-[2-methoxyethyl(methyl)amino]pyrimidin-4-yl]azetidine-1-carboxylate

tert-butyl 3-[6-[2-methoxyethyl(methyl)amino]pyrimidin-4-yl]azetidine-1-carboxylate (PubChem CID 126836767) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is tert-butyl 3-[6-[2-methoxyethyl(methyl)amino]pyrimidin-4-yl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[6-[2-methoxyethyl(methyl)amino]pyrimidin-4-yl]azetidine-1-carboxylate
PubChem CID126836767
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Nametert-butyl 3-[6-[2-methoxyethyl(methyl)amino]pyrimidin-4-yl]azetidine-1-carboxylate
SMILESCOCCN(C)c1cc(C2CN(C(=O)OC(C)(C)C)C2)ncn1
InChIInChI=1S/C16H26N4O3/c1-16(2,3)23-15(21)20-9-12(10-20)13-8-14(18-11-17-13)19(4)6-7-22-5/h8,11-12H,6-7,9-10H2,1-5H3
InChIKeyFXCKMJMOGKKFPV-UHFFFAOYSA-N
XLogP1.89
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 3-[6-[2-methoxyethyl(methyl)amino]pyrimidin-4-yl]azetidine-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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[6-[2-methoxyethyl(methyl)amino]pyrimidin-4-yl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[6-[2-methoxyethyl(methyl)amino]pyrimidin-4-yl]azetidine-1-carboxylate (CID 126836767) is tert-butyl 3-[6-[2-methoxyethyl(methyl)amino]pyrimidin-4-yl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[6-[2-methoxyethyl(methyl)amino]pyrimidin-4-yl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[6-[2-methoxyethyl(methyl)amino]pyrimidin-4-yl]azetidine-1-carboxylate is COCCN(C)c1cc(C2CN(C(=O)OC(C)(C)C)C2)ncn1.
What is the InChIKey of tert-butyl 3-[6-[2-methoxyethyl(methyl)amino]pyrimidin-4-yl]azetidine-1-carboxylate?
The InChIKey is FXCKMJMOGKKFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-16(2,3)23-15(21)20-9-12(10-20)13-8-14(18-11-17-13)19(4)6-7-22-5/h8,11-12H,6-7,9-10H2,1-5H3.
What are the key properties of tert-butyl 3-[6-[2-methoxyethyl(methyl)amino]pyrimidin-4-yl]azetidine-1-carboxylate?
tert-butyl 3-[6-[2-methoxyethyl(methyl)amino]pyrimidin-4-yl]azetidine-1-carboxylate has a molecular weight of 322.41 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[6-[2-methoxyethyl(methyl)amino]pyrimidin-4-yl]azetidine-1-carboxylate is sourced from PubChem (CID 126836767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).