[3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]azetidin-1-yl] 2,2,2-trifluoroacetate

C12H13F3N4O4 — CID 146314051

IUPAC[3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]azetidin-1-yl] 2,2,2-trifluoroacetate
SMILESCOc1cc(C)nc(NC(=O)C2CN(OC(=O)C(F)(F)F)C2)n1
InChIInChI=1S/C12H13F3N4O4/c1-6-3-8(22-2)17-11(16-6)18-9(20)7-4-19(5-7)23-10(21)12(13,14)15/h3,7H,4-5H2,1-2H3,(H,16,17,18,20)
InChIKeyYHVTWXJFBYXOJI-UHFFFAOYSA-N
MW334.25 g/mol
LogP0.68
Rot. Bonds4

About [3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]azetidin-1-yl] 2,2,2-trifluoroacetate

[3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]azetidin-1-yl] 2,2,2-trifluoroacetate (PubChem CID 146314051) has the molecular formula C12H13F3N4O4 and a molecular weight of 334.25 g/mol. Its IUPAC name is [3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]azetidin-1-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]azetidin-1-yl] 2,2,2-trifluoroacetate
PubChem CID146314051
Molecular FormulaC12H13F3N4O4
Molecular Weight334.25 g/mol
Exact Mass334.09
IUPAC Name[3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]azetidin-1-yl] 2,2,2-trifluoroacetate
SMILESCOc1cc(C)nc(NC(=O)C2CN(OC(=O)C(F)(F)F)C2)n1
InChIInChI=1S/C12H13F3N4O4/c1-6-3-8(22-2)17-11(16-6)18-9(20)7-4-19(5-7)23-10(21)12(13,14)15/h3,7H,4-5H2,1-2H3,(H,16,17,18,20)
InChIKeyYHVTWXJFBYXOJI-UHFFFAOYSA-N
XLogP0.68
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]azetidin-1-yl] 2,2,2-trifluoroacetate 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 [3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]azetidin-1-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]azetidin-1-yl] 2,2,2-trifluoroacetate (CID 146314051) is [3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]azetidin-1-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]azetidin-1-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]azetidin-1-yl] 2,2,2-trifluoroacetate is COc1cc(C)nc(NC(=O)C2CN(OC(=O)C(F)(F)F)C2)n1.
What is the InChIKey of [3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]azetidin-1-yl] 2,2,2-trifluoroacetate?
The InChIKey is YHVTWXJFBYXOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O4/c1-6-3-8(22-2)17-11(16-6)18-9(20)7-4-19(5-7)23-10(21)12(13,14)15/h3,7H,4-5H2,1-2H3,(H,16,17,18,20).
What are the key properties of [3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]azetidin-1-yl] 2,2,2-trifluoroacetate?
[3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]azetidin-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 334.25 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]azetidin-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 146314051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).