6-chloro-5-methoxy-1H-pyrimidin-2-one

C5H5ClN2O2 — CID 134987122

IUPAC6-chloro-5-methoxy-1H-pyrimidin-2-one
SMILESCOc1cnc(=O)[nH]c1Cl
InChIInChI=1S/C5H5ClN2O2/c1-10-3-2-7-5(9)8-4(3)6/h2H,1H3,(H,7,8,9)
InChIKeyNVFQDTSMWFDXLJ-UHFFFAOYSA-N
MW160.56 g/mol
LogP0.43
Rot. Bonds1

About 6-chloro-5-methoxy-1H-pyrimidin-2-one

6-chloro-5-methoxy-1H-pyrimidin-2-one (PubChem CID 134987122) has the molecular formula C5H5ClN2O2 and a molecular weight of 160.56 g/mol. Its IUPAC name is 6-chloro-5-methoxy-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-chloro-5-methoxy-1H-pyrimidin-2-one
PubChem CID134987122
Molecular FormulaC5H5ClN2O2
Molecular Weight160.56 g/mol
Exact Mass160.00
IUPAC Name6-chloro-5-methoxy-1H-pyrimidin-2-one
SMILESCOc1cnc(=O)[nH]c1Cl
InChIInChI=1S/C5H5ClN2O2/c1-10-3-2-7-5(9)8-4(3)6/h2H,1H3,(H,7,8,9)
InChIKeyNVFQDTSMWFDXLJ-UHFFFAOYSA-N
XLogP0.43
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.56
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methoxy-1H-pyrimidin-2-one?
The IUPAC name of 6-chloro-5-methoxy-1H-pyrimidin-2-one (CID 134987122) is 6-chloro-5-methoxy-1H-pyrimidin-2-one.
What is the SMILES notation for 6-chloro-5-methoxy-1H-pyrimidin-2-one?
The canonical SMILES for 6-chloro-5-methoxy-1H-pyrimidin-2-one is COc1cnc(=O)[nH]c1Cl.
What is the InChIKey of 6-chloro-5-methoxy-1H-pyrimidin-2-one?
The InChIKey is NVFQDTSMWFDXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2O2/c1-10-3-2-7-5(9)8-4(3)6/h2H,1H3,(H,7,8,9).
What are the key properties of 6-chloro-5-methoxy-1H-pyrimidin-2-one?
6-chloro-5-methoxy-1H-pyrimidin-2-one has a molecular weight of 160.56 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methoxy-1H-pyrimidin-2-one is sourced from PubChem (CID 134987122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).