4-[(3-butyl-3-methoxyazetidin-1-yl)methyl]-2-methoxypyrimidine;ethane

C16H29N3O2 — CID 163258090

IUPAC4-[(3-butyl-3-methoxyazetidin-1-yl)methyl]-2-methoxypyrimidine;ethane
SMILESCC.CCCCC1(OC)CN(Cc2ccnc(OC)n2)C1
InChIInChI=1S/C14H23N3O2.C2H6/c1-4-5-7-14(19-3)10-17(11-14)9-12-6-8-15-13(16-12)18-2;1-2/h6,8H,4-5,7,9-11H2,1-3H3;1-2H3
InChIKeyAZEZIGDTAPXVOQ-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.90
Rot. Bonds7

About 4-[(3-butyl-3-methoxyazetidin-1-yl)methyl]-2-methoxypyrimidine;ethane

4-[(3-butyl-3-methoxyazetidin-1-yl)methyl]-2-methoxypyrimidine;ethane (PubChem CID 163258090) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-[(3-butyl-3-methoxyazetidin-1-yl)methyl]-2-methoxypyrimidine;ethane.

Molecular Properties

Compound Name4-[(3-butyl-3-methoxyazetidin-1-yl)methyl]-2-methoxypyrimidine;ethane
PubChem CID163258090
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name4-[(3-butyl-3-methoxyazetidin-1-yl)methyl]-2-methoxypyrimidine;ethane
SMILESCC.CCCCC1(OC)CN(Cc2ccnc(OC)n2)C1
InChIInChI=1S/C14H23N3O2.C2H6/c1-4-5-7-14(19-3)10-17(11-14)9-12-6-8-15-13(16-12)18-2;1-2/h6,8H,4-5,7,9-11H2,1-3H3;1-2H3
InChIKeyAZEZIGDTAPXVOQ-UHFFFAOYSA-N
XLogP2.90
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-butyl-3-methoxyazetidin-1-yl)methyl]-2-methoxypyrimidine;ethane?
The IUPAC name of 4-[(3-butyl-3-methoxyazetidin-1-yl)methyl]-2-methoxypyrimidine;ethane (CID 163258090) is 4-[(3-butyl-3-methoxyazetidin-1-yl)methyl]-2-methoxypyrimidine;ethane.
What is the SMILES notation for 4-[(3-butyl-3-methoxyazetidin-1-yl)methyl]-2-methoxypyrimidine;ethane?
The canonical SMILES for 4-[(3-butyl-3-methoxyazetidin-1-yl)methyl]-2-methoxypyrimidine;ethane is CC.CCCCC1(OC)CN(Cc2ccnc(OC)n2)C1.
What is the InChIKey of 4-[(3-butyl-3-methoxyazetidin-1-yl)methyl]-2-methoxypyrimidine;ethane?
The InChIKey is AZEZIGDTAPXVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2.C2H6/c1-4-5-7-14(19-3)10-17(11-14)9-12-6-8-15-13(16-12)18-2;1-2/h6,8H,4-5,7,9-11H2,1-3H3;1-2H3.
What are the key properties of 4-[(3-butyl-3-methoxyazetidin-1-yl)methyl]-2-methoxypyrimidine;ethane?
4-[(3-butyl-3-methoxyazetidin-1-yl)methyl]-2-methoxypyrimidine;ethane has a molecular weight of 295.43 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-butyl-3-methoxyazetidin-1-yl)methyl]-2-methoxypyrimidine;ethane is sourced from PubChem (CID 163258090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).