5-chloro-2-[(2-chlorophenoxy)methyl]-4-methyl-1H-pyrimidin-6-one

C12H10Cl2N2O2 — CID 135419005

IUPAC5-chloro-2-[(2-chlorophenoxy)methyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(COc2ccccc2Cl)[nH]c(=O)c1Cl
InChIInChI=1S/C12H10Cl2N2O2/c1-7-11(14)12(17)16-10(15-7)6-18-9-5-3-2-4-8(9)13/h2-5H,6H2,1H3,(H,15,16,17)
InChIKeyYEOUMCKKQMNJRV-UHFFFAOYSA-N
MW285.13 g/mol
LogP2.96
Rot. Bonds3

About 5-chloro-2-[(2-chlorophenoxy)methyl]-4-methyl-1H-pyrimidin-6-one

5-chloro-2-[(2-chlorophenoxy)methyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135419005) has the molecular formula C12H10Cl2N2O2 and a molecular weight of 285.13 g/mol. Its IUPAC name is 5-chloro-2-[(2-chlorophenoxy)methyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-2-[(2-chlorophenoxy)methyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135419005
Molecular FormulaC12H10Cl2N2O2
Molecular Weight285.13 g/mol
Exact Mass284.01
IUPAC Name5-chloro-2-[(2-chlorophenoxy)methyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(COc2ccccc2Cl)[nH]c(=O)c1Cl
InChIInChI=1S/C12H10Cl2N2O2/c1-7-11(14)12(17)16-10(15-7)6-18-9-5-3-2-4-8(9)13/h2-5H,6H2,1H3,(H,15,16,17)
InChIKeyYEOUMCKKQMNJRV-UHFFFAOYSA-N
XLogP2.96
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2-chlorophenoxy)methyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-2-[(2-chlorophenoxy)methyl]-4-methyl-1H-pyrimidin-6-one (CID 135419005) is 5-chloro-2-[(2-chlorophenoxy)methyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-2-[(2-chlorophenoxy)methyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-2-[(2-chlorophenoxy)methyl]-4-methyl-1H-pyrimidin-6-one is Cc1nc(COc2ccccc2Cl)[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-2-[(2-chlorophenoxy)methyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is YEOUMCKKQMNJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2/c1-7-11(14)12(17)16-10(15-7)6-18-9-5-3-2-4-8(9)13/h2-5H,6H2,1H3,(H,15,16,17).
What are the key properties of 5-chloro-2-[(2-chlorophenoxy)methyl]-4-methyl-1H-pyrimidin-6-one?
5-chloro-2-[(2-chlorophenoxy)methyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 285.13 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2-chlorophenoxy)methyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135419005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).