2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one

C12H10Cl2N2O2 — CID 63612279

IUPAC2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(Cc2c(Cl)cccc2Cl)[nH]c1=O
InChIInChI=1S/C12H10Cl2N2O2/c1-6-11(17)15-10(16-12(6)18)5-7-8(13)3-2-4-9(7)14/h2-4H,5H2,1H3,(H2,15,16,17,18)
InChIKeyPHJQZIALMOJIDQ-UHFFFAOYSA-N
MW285.13 g/mol
LogP2.68
Rot. Bonds2

About 2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one

2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 63612279) has the molecular formula C12H10Cl2N2O2 and a molecular weight of 285.13 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID63612279
Molecular FormulaC12H10Cl2N2O2
Molecular Weight285.13 g/mol
Exact Mass284.01
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(Cc2c(Cl)cccc2Cl)[nH]c1=O
InChIInChI=1S/C12H10Cl2N2O2/c1-6-11(17)15-10(16-12(6)18)5-7-8(13)3-2-4-9(7)14/h2-4H,5H2,1H3,(H2,15,16,17,18)
InChIKeyPHJQZIALMOJIDQ-UHFFFAOYSA-N
XLogP2.68
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 63612279) is 2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one is Cc1c(O)nc(Cc2c(Cl)cccc2Cl)[nH]c1=O.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is PHJQZIALMOJIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2/c1-6-11(17)15-10(16-12(6)18)5-7-8(13)3-2-4-9(7)14/h2-4H,5H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 285.13 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 63612279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).