1-(4,6-dimethoxypyrimidin-2-yl)-3-methylazetidin-3-ol

C10H15N3O3 — CID 115355462

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)-3-methylazetidin-3-ol
SMILESCOc1cc(OC)nc(N2CC(C)(O)C2)n1
InChIInChI=1S/C10H15N3O3/c1-10(14)5-13(6-10)9-11-7(15-2)4-8(12-9)16-3/h4,14H,5-6H2,1-3H3
InChIKeyRQGUIKKIRDHGMQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.06
Rot. Bonds3

About 1-(4,6-dimethoxypyrimidin-2-yl)-3-methylazetidin-3-ol

1-(4,6-dimethoxypyrimidin-2-yl)-3-methylazetidin-3-ol (PubChem CID 115355462) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-2-yl)-3-methylazetidin-3-ol.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)-3-methylazetidin-3-ol
PubChem CID115355462
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)-3-methylazetidin-3-ol
SMILESCOc1cc(OC)nc(N2CC(C)(O)C2)n1
InChIInChI=1S/C10H15N3O3/c1-10(14)5-13(6-10)9-11-7(15-2)4-8(12-9)16-3/h4,14H,5-6H2,1-3H3
InChIKeyRQGUIKKIRDHGMQ-UHFFFAOYSA-N
XLogP0.06
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-3-methylazetidin-3-ol?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-3-methylazetidin-3-ol (CID 115355462) is 1-(4,6-dimethoxypyrimidin-2-yl)-3-methylazetidin-3-ol.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)-3-methylazetidin-3-ol?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)-3-methylazetidin-3-ol is COc1cc(OC)nc(N2CC(C)(O)C2)n1.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-2-yl)-3-methylazetidin-3-ol?
The InChIKey is RQGUIKKIRDHGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-10(14)5-13(6-10)9-11-7(15-2)4-8(12-9)16-3/h4,14H,5-6H2,1-3H3.
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)-3-methylazetidin-3-ol?
1-(4,6-dimethoxypyrimidin-2-yl)-3-methylazetidin-3-ol has a molecular weight of 225.25 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxypyrimidin-2-yl)-3-methylazetidin-3-ol is sourced from PubChem (CID 115355462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).