5-chloro-2-cyclobutyloxypyrimidine

C8H9ClN2O — CID 126953902

IUPAC5-chloro-2-cyclobutyloxypyrimidine
SMILESClc1cnc(OC2CCC2)nc1
InChIInChI=1S/C8H9ClN2O/c9-6-4-10-8(11-5-6)12-7-2-1-3-7/h4-5,7H,1-3H2
InChIKeyDBXPZTBINHGUSI-UHFFFAOYSA-N
MW184.63 g/mol
LogP2.06
Rot. Bonds2

About 5-chloro-2-cyclobutyloxypyrimidine

5-chloro-2-cyclobutyloxypyrimidine (PubChem CID 126953902) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 5-chloro-2-cyclobutyloxypyrimidine.

Molecular Properties

Compound Name5-chloro-2-cyclobutyloxypyrimidine
PubChem CID126953902
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name5-chloro-2-cyclobutyloxypyrimidine
SMILESClc1cnc(OC2CCC2)nc1
InChIInChI=1S/C8H9ClN2O/c9-6-4-10-8(11-5-6)12-7-2-1-3-7/h4-5,7H,1-3H2
InChIKeyDBXPZTBINHGUSI-UHFFFAOYSA-N
XLogP2.06
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]methanol
CID 106825896
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]cyclohexanecarboxamide
CID 90633658
2-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]oxy-5-methylpyrimidine
CID 172900064
2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-5-ethylpyrimidine
CID 138988924
2-cyclopentyloxypyrimidine-5-carboxylic acid
CID 25116525
3-chloro-1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]propan-1-one
CID 122259293
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90633673
5-chloro-2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122267332
5-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]pyrrolidin-2-one
CID 122259236
5-chloro-2-(5-chloropyrimidin-2-yl)oxypyrimidine
CID 168863078
2,2,2-trifluoroethyl 3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carboxylate
CID 122267285
3-(5-chloropyrimidin-2-yl)oxy-N-prop-2-enylpiperidine-1-carboxamide
CID 122259581

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyclobutyloxypyrimidine?
The IUPAC name of 5-chloro-2-cyclobutyloxypyrimidine (CID 126953902) is 5-chloro-2-cyclobutyloxypyrimidine.
What is the SMILES notation for 5-chloro-2-cyclobutyloxypyrimidine?
The canonical SMILES for 5-chloro-2-cyclobutyloxypyrimidine is Clc1cnc(OC2CCC2)nc1.
What is the InChIKey of 5-chloro-2-cyclobutyloxypyrimidine?
The InChIKey is DBXPZTBINHGUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c9-6-4-10-8(11-5-6)12-7-2-1-3-7/h4-5,7H,1-3H2.
What are the key properties of 5-chloro-2-cyclobutyloxypyrimidine?
5-chloro-2-cyclobutyloxypyrimidine has a molecular weight of 184.63 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyclobutyloxypyrimidine is sourced from PubChem (CID 126953902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).