N-[4,6-dimethoxy-2-(3-methoxyazetidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide

C16H26N4O4 — CID 122191187

IUPACN-[4,6-dimethoxy-2-(3-methoxyazetidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide
SMILESCOc1nc(N2CC(OC)C2)nc(OC)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C16H26N4O4/c1-16(2,3)7-11(21)17-12-13(23-5)18-15(19-14(12)24-6)20-8-10(9-20)22-4/h10H,7-9H2,1-6H3,(H,17,21)
InChIKeyOTWSPUIKNJVKBF-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.70
Rot. Bonds6

About N-[4,6-dimethoxy-2-(3-methoxyazetidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide

N-[4,6-dimethoxy-2-(3-methoxyazetidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide (PubChem CID 122191187) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[4,6-dimethoxy-2-(3-methoxyazetidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[4,6-dimethoxy-2-(3-methoxyazetidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide
PubChem CID122191187
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC NameN-[4,6-dimethoxy-2-(3-methoxyazetidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide
SMILESCOc1nc(N2CC(OC)C2)nc(OC)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C16H26N4O4/c1-16(2,3)7-11(21)17-12-13(23-5)18-15(19-14(12)24-6)20-8-10(9-20)22-4/h10H,7-9H2,1-6H3,(H,17,21)
InChIKeyOTWSPUIKNJVKBF-UHFFFAOYSA-N
XLogP1.70
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4,6-dimethoxy-2-(3-methoxyazetidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[4,6-dimethoxy-2-(3-methoxyazetidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide (CID 122191187) is N-[4,6-dimethoxy-2-(3-methoxyazetidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[4,6-dimethoxy-2-(3-methoxyazetidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[4,6-dimethoxy-2-(3-methoxyazetidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide is COc1nc(N2CC(OC)C2)nc(OC)c1NC(=O)CC(C)(C)C.
What is the InChIKey of N-[4,6-dimethoxy-2-(3-methoxyazetidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide?
The InChIKey is OTWSPUIKNJVKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-16(2,3)7-11(21)17-12-13(23-5)18-15(19-14(12)24-6)20-8-10(9-20)22-4/h10H,7-9H2,1-6H3,(H,17,21).
What are the key properties of N-[4,6-dimethoxy-2-(3-methoxyazetidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide?
N-[4,6-dimethoxy-2-(3-methoxyazetidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide has a molecular weight of 338.41 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-dimethoxy-2-(3-methoxyazetidin-1-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 122191187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).