N-[1-(6-methoxypyrimidin-4-yl)azetidin-3-yl]-2,2-dimethylpropanamide

C13H20N4O2 — CID 171323466

IUPACN-[1-(6-methoxypyrimidin-4-yl)azetidin-3-yl]-2,2-dimethylpropanamide
SMILESCOc1cc(N2CC(NC(=O)C(C)(C)C)C2)ncn1
InChIInChI=1S/C13H20N4O2/c1-13(2,3)12(18)16-9-6-17(7-9)10-5-11(19-4)15-8-14-10/h5,8-9H,6-7H2,1-4H3,(H,16,18)
InChIKeyXNYOIHYVACFNDB-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.84
Rot. Bonds3

About N-[1-(6-methoxypyrimidin-4-yl)azetidin-3-yl]-2,2-dimethylpropanamide

N-[1-(6-methoxypyrimidin-4-yl)azetidin-3-yl]-2,2-dimethylpropanamide (PubChem CID 171323466) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[1-(6-methoxypyrimidin-4-yl)azetidin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(6-methoxypyrimidin-4-yl)azetidin-3-yl]-2,2-dimethylpropanamide
PubChem CID171323466
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[1-(6-methoxypyrimidin-4-yl)azetidin-3-yl]-2,2-dimethylpropanamide
SMILESCOc1cc(N2CC(NC(=O)C(C)(C)C)C2)ncn1
InChIInChI=1S/C13H20N4O2/c1-13(2,3)12(18)16-9-6-17(7-9)10-5-11(19-4)15-8-14-10/h5,8-9H,6-7H2,1-4H3,(H,16,18)
InChIKeyXNYOIHYVACFNDB-UHFFFAOYSA-N
XLogP0.84
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-methoxypyrimidin-4-yl)azetidin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(6-methoxypyrimidin-4-yl)azetidin-3-yl]-2,2-dimethylpropanamide (CID 171323466) is N-[1-(6-methoxypyrimidin-4-yl)azetidin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(6-methoxypyrimidin-4-yl)azetidin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(6-methoxypyrimidin-4-yl)azetidin-3-yl]-2,2-dimethylpropanamide is COc1cc(N2CC(NC(=O)C(C)(C)C)C2)ncn1.
What is the InChIKey of N-[1-(6-methoxypyrimidin-4-yl)azetidin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is XNYOIHYVACFNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(2,3)12(18)16-9-6-17(7-9)10-5-11(19-4)15-8-14-10/h5,8-9H,6-7H2,1-4H3,(H,16,18).
What are the key properties of N-[1-(6-methoxypyrimidin-4-yl)azetidin-3-yl]-2,2-dimethylpropanamide?
N-[1-(6-methoxypyrimidin-4-yl)azetidin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 264.33 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-methoxypyrimidin-4-yl)azetidin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 171323466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).