2-chloro-5-(methoxymethyl)-1H-pyrimidin-6-one

C6H7ClN2O2 — CID 134290178

IUPAC2-chloro-5-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1cnc(Cl)[nH]c1=O
InChIInChI=1S/C6H7ClN2O2/c1-11-3-4-2-8-6(7)9-5(4)10/h2H,3H2,1H3,(H,8,9,10)
InChIKeyBHZDJTLTUSNPKI-UHFFFAOYSA-N
MW174.59 g/mol
LogP0.57
Rot. Bonds2

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

2-chloro-5-(methoxymethyl)-1H-pyrimidin-6-one (PubChem CID 134290178) has the molecular formula C6H7ClN2O2 and a molecular weight of 174.59 g/mol. Its IUPAC name is 2-chloro-5-(methoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-chloro-5-(methoxymethyl)-1H-pyrimidin-6-one
PubChem CID134290178
Molecular FormulaC6H7ClN2O2
Molecular Weight174.59 g/mol
Exact Mass174.02
IUPAC Name2-chloro-5-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1cnc(Cl)[nH]c1=O
InChIInChI=1S/C6H7ClN2O2/c1-11-3-4-2-8-6(7)9-5(4)10/h2H,3H2,1H3,(H,8,9,10)
InChIKeyBHZDJTLTUSNPKI-UHFFFAOYSA-N
XLogP0.57
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.59
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(methoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-chloro-5-(methoxymethyl)-1H-pyrimidin-6-one (CID 134290178) is 2-chloro-5-(methoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-chloro-5-(methoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-chloro-5-(methoxymethyl)-1H-pyrimidin-6-one is COCc1cnc(Cl)[nH]c1=O.
What is the InChIKey of 2-chloro-5-(methoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is BHZDJTLTUSNPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O2/c1-11-3-4-2-8-6(7)9-5(4)10/h2H,3H2,1H3,(H,8,9,10).
What are the key properties of 2-chloro-5-(methoxymethyl)-1H-pyrimidin-6-one?
2-chloro-5-(methoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 174.59 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(methoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 134290178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).