5-chloro-6-(oxiran-2-ylmethyl)-1H-pyrimidin-2-one

C7H7ClN2O2 — CID 88766618

IUPAC5-chloro-6-(oxiran-2-ylmethyl)-1H-pyrimidin-2-one
SMILESO=c1ncc(Cl)c(CC2CO2)[nH]1
InChIInChI=1S/C7H7ClN2O2/c8-5-2-9-7(11)10-6(5)1-4-3-12-4/h2,4H,1,3H2,(H,9,10,11)
InChIKeyGNAWFOIPCHDHNO-UHFFFAOYSA-N
MW186.60 g/mol
LogP0.36
Rot. Bonds2

About 5-chloro-6-(oxiran-2-ylmethyl)-1H-pyrimidin-2-one

5-chloro-6-(oxiran-2-ylmethyl)-1H-pyrimidin-2-one (PubChem CID 88766618) has the molecular formula C7H7ClN2O2 and a molecular weight of 186.60 g/mol. Its IUPAC name is 5-chloro-6-(oxiran-2-ylmethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-chloro-6-(oxiran-2-ylmethyl)-1H-pyrimidin-2-one
PubChem CID88766618
Molecular FormulaC7H7ClN2O2
Molecular Weight186.60 g/mol
Exact Mass186.02
IUPAC Name5-chloro-6-(oxiran-2-ylmethyl)-1H-pyrimidin-2-one
SMILESO=c1ncc(Cl)c(CC2CO2)[nH]1
InChIInChI=1S/C7H7ClN2O2/c8-5-2-9-7(11)10-6(5)1-4-3-12-4/h2,4H,1,3H2,(H,9,10,11)
InChIKeyGNAWFOIPCHDHNO-UHFFFAOYSA-N
XLogP0.36
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(oxiran-2-ylmethyl)-1H-pyrimidin-2-one?
The IUPAC name of 5-chloro-6-(oxiran-2-ylmethyl)-1H-pyrimidin-2-one (CID 88766618) is 5-chloro-6-(oxiran-2-ylmethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 5-chloro-6-(oxiran-2-ylmethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 5-chloro-6-(oxiran-2-ylmethyl)-1H-pyrimidin-2-one is O=c1ncc(Cl)c(CC2CO2)[nH]1.
What is the InChIKey of 5-chloro-6-(oxiran-2-ylmethyl)-1H-pyrimidin-2-one?
The InChIKey is GNAWFOIPCHDHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2/c8-5-2-9-7(11)10-6(5)1-4-3-12-4/h2,4H,1,3H2,(H,9,10,11).
What are the key properties of 5-chloro-6-(oxiran-2-ylmethyl)-1H-pyrimidin-2-one?
5-chloro-6-(oxiran-2-ylmethyl)-1H-pyrimidin-2-one has a molecular weight of 186.60 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(oxiran-2-ylmethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 88766618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).