5-(2-chlorophenyl)-2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one

C13H14ClN3O2 — CID 79439201

IUPAC5-(2-chlorophenyl)-2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCN(C)Cc1nc(O)c(-c2ccccc2Cl)c(=O)[nH]1
InChIInChI=1S/C13H14ClN3O2/c1-17(2)7-10-15-12(18)11(13(19)16-10)8-5-3-4-6-9(8)14/h3-6H,7H2,1-2H3,(H2,15,16,18,19)
InChIKeyVLQHZENJKZKGFE-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.86
Rot. Bonds3

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

5-(2-chlorophenyl)-2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 79439201) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID79439201
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name5-(2-chlorophenyl)-2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCN(C)Cc1nc(O)c(-c2ccccc2Cl)c(=O)[nH]1
InChIInChI=1S/C13H14ClN3O2/c1-17(2)7-10-15-12(18)11(13(19)16-10)8-5-3-4-6-9(8)14/h3-6H,7H2,1-2H3,(H2,15,16,18,19)
InChIKeyVLQHZENJKZKGFE-UHFFFAOYSA-N
XLogP1.86
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-chlorophenyl)-2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one (CID 79439201) is 5-(2-chlorophenyl)-2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-chlorophenyl)-2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-chlorophenyl)-2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one is CN(C)Cc1nc(O)c(-c2ccccc2Cl)c(=O)[nH]1.
What is the InChIKey of 5-(2-chlorophenyl)-2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is VLQHZENJKZKGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-17(2)7-10-15-12(18)11(13(19)16-10)8-5-3-4-6-9(8)14/h3-6H,7H2,1-2H3,(H2,15,16,18,19).
What are the key properties of 5-(2-chlorophenyl)-2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one?
5-(2-chlorophenyl)-2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 279.73 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 79439201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).