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

C5H5ClN2O2 — CID 11298128

IUPAC2-chloro-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1cnc(Cl)[nH]c1=O
InChIInChI=1S/C5H5ClN2O2/c1-10-3-2-7-5(6)8-4(3)9/h2H,1H3,(H,7,8,9)
InChIKeyQFYBRHZPMJKBMX-UHFFFAOYSA-N
MW160.56 g/mol
LogP0.43
Rot. Bonds1

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

2-chloro-5-methoxy-1H-pyrimidin-6-one (PubChem CID 11298128) has the molecular formula C5H5ClN2O2 and a molecular weight of 160.56 g/mol. Its IUPAC name is 2-chloro-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-chloro-5-methoxy-1H-pyrimidin-6-one
PubChem CID11298128
Molecular FormulaC5H5ClN2O2
Molecular Weight160.56 g/mol
Exact Mass160.00
IUPAC Name2-chloro-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1cnc(Cl)[nH]c1=O
InChIInChI=1S/C5H5ClN2O2/c1-10-3-2-7-5(6)8-4(3)9/h2H,1H3,(H,7,8,9)
InChIKeyQFYBRHZPMJKBMX-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 2-chloro-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 2-chloro-5-methoxy-1H-pyrimidin-6-one (CID 11298128) is 2-chloro-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-chloro-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-chloro-5-methoxy-1H-pyrimidin-6-one is COc1cnc(Cl)[nH]c1=O.
What is the InChIKey of 2-chloro-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is QFYBRHZPMJKBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2O2/c1-10-3-2-7-5(6)8-4(3)9/h2H,1H3,(H,7,8,9).
What are the key properties of 2-chloro-5-methoxy-1H-pyrimidin-6-one?
2-chloro-5-methoxy-1H-pyrimidin-6-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 2-chloro-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 11298128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).