2-(azetidin-3-yl)-5-ethylpyrimidine

C9H13N3 — CID 84651719

IUPAC2-(azetidin-3-yl)-5-ethylpyrimidine
SMILESCCc1cnc(C2CNC2)nc1
InChIInChI=1S/C9H13N3/c1-2-7-3-11-9(12-4-7)8-5-10-6-8/h3-4,8,10H,2,5-6H2,1H3
InChIKeyZCIGQPCPQJAUGE-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.73
Rot. Bonds2

About 2-(azetidin-3-yl)-5-ethylpyrimidine

2-(azetidin-3-yl)-5-ethylpyrimidine (PubChem CID 84651719) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-5-ethylpyrimidine.

Molecular Properties

Compound Name2-(azetidin-3-yl)-5-ethylpyrimidine
PubChem CID84651719
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name2-(azetidin-3-yl)-5-ethylpyrimidine
SMILESCCc1cnc(C2CNC2)nc1
InChIInChI=1S/C9H13N3/c1-2-7-3-11-9(12-4-7)8-5-10-6-8/h3-4,8,10H,2,5-6H2,1H3
InChIKeyZCIGQPCPQJAUGE-UHFFFAOYSA-N
XLogP0.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-2-piperidin-4-ylpyrimidine
CID 83697990
2-(azetidin-3-yl)-5-cyclopropylpyrimidine
CID 59418290
5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]pyrimidine
CID 19839806
4-[(5-ethylpyrimidin-2-yl)amino]pyrrolidin-3-ol
CID 170079208
2-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]-5-ethylpyrimidine
CID 19839626
2-(azetidin-3-yl)pyrimidine-5-carboxylic acid;hydrochloride
CID 71743311
5-(azetidin-3-yl)-2-ethylpyridine
CID 118486687
2-(azetidin-3-yl)-5-butylpyridine
CID 131871338
6-ethyl-2-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 84785460
2-(azetidin-3-yl)-5-ethyl-1H-pyrimidin-6-one
CID 84656987
5-ethyl-N-methyl-N-(piperidin-4-ylmethyl)pyrimidin-2-amine;dihydrochloride
CID 139028403
2-cyclohexyl-5-propylpyrimidine
CID 57193046

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-5-ethylpyrimidine?
The IUPAC name of 2-(azetidin-3-yl)-5-ethylpyrimidine (CID 84651719) is 2-(azetidin-3-yl)-5-ethylpyrimidine.
What is the SMILES notation for 2-(azetidin-3-yl)-5-ethylpyrimidine?
The canonical SMILES for 2-(azetidin-3-yl)-5-ethylpyrimidine is CCc1cnc(C2CNC2)nc1.
What is the InChIKey of 2-(azetidin-3-yl)-5-ethylpyrimidine?
The InChIKey is ZCIGQPCPQJAUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-2-7-3-11-9(12-4-7)8-5-10-6-8/h3-4,8,10H,2,5-6H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-5-ethylpyrimidine?
2-(azetidin-3-yl)-5-ethylpyrimidine has a molecular weight of 163.22 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-5-ethylpyrimidine is sourced from PubChem (CID 84651719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).