4-(2,3-dimethylazetidin-1-yl)-6-ethoxypyrimidine

C11H17N3O — CID 122154234

IUPAC4-(2,3-dimethylazetidin-1-yl)-6-ethoxypyrimidine
SMILESCCOc1cc(N2CC(C)C2C)ncn1
InChIInChI=1S/C11H17N3O/c1-4-15-11-5-10(12-7-13-11)14-6-8(2)9(14)3/h5,7-9H,4,6H2,1-3H3
InChIKeyQXDQNZSRDNWBGY-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.72
Rot. Bonds3

About 4-(2,3-dimethylazetidin-1-yl)-6-ethoxypyrimidine

4-(2,3-dimethylazetidin-1-yl)-6-ethoxypyrimidine (PubChem CID 122154234) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-(2,3-dimethylazetidin-1-yl)-6-ethoxypyrimidine.

Molecular Properties

Compound Name4-(2,3-dimethylazetidin-1-yl)-6-ethoxypyrimidine
PubChem CID122154234
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-(2,3-dimethylazetidin-1-yl)-6-ethoxypyrimidine
SMILESCCOc1cc(N2CC(C)C2C)ncn1
InChIInChI=1S/C11H17N3O/c1-4-15-11-5-10(12-7-13-11)14-6-8(2)9(14)3/h5,7-9H,4,6H2,1-3H3
InChIKeyQXDQNZSRDNWBGY-UHFFFAOYSA-N
XLogP1.72
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylazetidin-1-yl)-6-ethoxypyrimidine?
The IUPAC name of 4-(2,3-dimethylazetidin-1-yl)-6-ethoxypyrimidine (CID 122154234) is 4-(2,3-dimethylazetidin-1-yl)-6-ethoxypyrimidine.
What is the SMILES notation for 4-(2,3-dimethylazetidin-1-yl)-6-ethoxypyrimidine?
The canonical SMILES for 4-(2,3-dimethylazetidin-1-yl)-6-ethoxypyrimidine is CCOc1cc(N2CC(C)C2C)ncn1.
What is the InChIKey of 4-(2,3-dimethylazetidin-1-yl)-6-ethoxypyrimidine?
The InChIKey is QXDQNZSRDNWBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-4-15-11-5-10(12-7-13-11)14-6-8(2)9(14)3/h5,7-9H,4,6H2,1-3H3.
What are the key properties of 4-(2,3-dimethylazetidin-1-yl)-6-ethoxypyrimidine?
4-(2,3-dimethylazetidin-1-yl)-6-ethoxypyrimidine has a molecular weight of 207.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylazetidin-1-yl)-6-ethoxypyrimidine is sourced from PubChem (CID 122154234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).