N-[2-(3,3-difluoroazetidin-1-yl)-4,6-dimethoxypyrimidin-5-yl]-3,3-dimethylbutanamide

C15H22F2N4O3 — CID 122191183

IUPACN-[2-(3,3-difluoroazetidin-1-yl)-4,6-dimethoxypyrimidin-5-yl]-3,3-dimethylbutanamide
SMILESCOc1nc(N2CC(F)(F)C2)nc(OC)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C15H22F2N4O3/c1-14(2,3)6-9(22)18-10-11(23-4)19-13(20-12(10)24-5)21-7-15(16,17)8-21/h6-8H2,1-5H3,(H,18,22)
InChIKeyADUWFEHREZRCTH-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.32
Rot. Bonds5

About N-[2-(3,3-difluoroazetidin-1-yl)-4,6-dimethoxypyrimidin-5-yl]-3,3-dimethylbutanamide

N-[2-(3,3-difluoroazetidin-1-yl)-4,6-dimethoxypyrimidin-5-yl]-3,3-dimethylbutanamide (PubChem CID 122191183) has the molecular formula C15H22F2N4O3 and a molecular weight of 344.36 g/mol. Its IUPAC name is N-[2-(3,3-difluoroazetidin-1-yl)-4,6-dimethoxypyrimidin-5-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(3,3-difluoroazetidin-1-yl)-4,6-dimethoxypyrimidin-5-yl]-3,3-dimethylbutanamide
PubChem CID122191183
Molecular FormulaC15H22F2N4O3
Molecular Weight344.36 g/mol
Exact Mass344.17
IUPAC NameN-[2-(3,3-difluoroazetidin-1-yl)-4,6-dimethoxypyrimidin-5-yl]-3,3-dimethylbutanamide
SMILESCOc1nc(N2CC(F)(F)C2)nc(OC)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C15H22F2N4O3/c1-14(2,3)6-9(22)18-10-11(23-4)19-13(20-12(10)24-5)21-7-15(16,17)8-21/h6-8H2,1-5H3,(H,18,22)
InChIKeyADUWFEHREZRCTH-UHFFFAOYSA-N
XLogP2.32
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-difluoroazetidin-1-yl)-4,6-dimethoxypyrimidin-5-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-(3,3-difluoroazetidin-1-yl)-4,6-dimethoxypyrimidin-5-yl]-3,3-dimethylbutanamide (CID 122191183) is N-[2-(3,3-difluoroazetidin-1-yl)-4,6-dimethoxypyrimidin-5-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(3,3-difluoroazetidin-1-yl)-4,6-dimethoxypyrimidin-5-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-(3,3-difluoroazetidin-1-yl)-4,6-dimethoxypyrimidin-5-yl]-3,3-dimethylbutanamide is COc1nc(N2CC(F)(F)C2)nc(OC)c1NC(=O)CC(C)(C)C.
What is the InChIKey of N-[2-(3,3-difluoroazetidin-1-yl)-4,6-dimethoxypyrimidin-5-yl]-3,3-dimethylbutanamide?
The InChIKey is ADUWFEHREZRCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4O3/c1-14(2,3)6-9(22)18-10-11(23-4)19-13(20-12(10)24-5)21-7-15(16,17)8-21/h6-8H2,1-5H3,(H,18,22).
What are the key properties of N-[2-(3,3-difluoroazetidin-1-yl)-4,6-dimethoxypyrimidin-5-yl]-3,3-dimethylbutanamide?
N-[2-(3,3-difluoroazetidin-1-yl)-4,6-dimethoxypyrimidin-5-yl]-3,3-dimethylbutanamide has a molecular weight of 344.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-difluoroazetidin-1-yl)-4,6-dimethoxypyrimidin-5-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 122191183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).