5-chloro-4-cyclobutyloxy-1H-pyrimidin-6-one

C8H9ClN2O2 — CID 114676378

IUPAC5-chloro-4-cyclobutyloxy-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OC2CCC2)c1Cl
InChIInChI=1S/C8H9ClN2O2/c9-6-7(12)10-4-11-8(6)13-5-2-1-3-5/h4-5H,1-3H2,(H,10,11,12)
InChIKeyNJDGADPLBXANAR-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.35
Rot. Bonds2

About 5-chloro-4-cyclobutyloxy-1H-pyrimidin-6-one

5-chloro-4-cyclobutyloxy-1H-pyrimidin-6-one (PubChem CID 114676378) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is 5-chloro-4-cyclobutyloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-cyclobutyloxy-1H-pyrimidin-6-one
PubChem CID114676378
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Name5-chloro-4-cyclobutyloxy-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OC2CCC2)c1Cl
InChIInChI=1S/C8H9ClN2O2/c9-6-7(12)10-4-11-8(6)13-5-2-1-3-5/h4-5H,1-3H2,(H,10,11,12)
InChIKeyNJDGADPLBXANAR-UHFFFAOYSA-N
XLogP1.35
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-cyclobutyloxy-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-cyclobutyloxy-1H-pyrimidin-6-one (CID 114676378) is 5-chloro-4-cyclobutyloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-cyclobutyloxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-cyclobutyloxy-1H-pyrimidin-6-one is O=c1[nH]cnc(OC2CCC2)c1Cl.
What is the InChIKey of 5-chloro-4-cyclobutyloxy-1H-pyrimidin-6-one?
The InChIKey is NJDGADPLBXANAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c9-6-7(12)10-4-11-8(6)13-5-2-1-3-5/h4-5H,1-3H2,(H,10,11,12).
What are the key properties of 5-chloro-4-cyclobutyloxy-1H-pyrimidin-6-one?
5-chloro-4-cyclobutyloxy-1H-pyrimidin-6-one has a molecular weight of 200.62 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-cyclobutyloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114676378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).