5-(4-chlorophenyl)sulfinyl-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one

C13H14ClN3O2S — CID 135743966

IUPAC5-(4-chlorophenyl)sulfinyl-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N(C)C)[nH]c(=O)c1S(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN3O2S/c1-8-11(12(18)16-13(15-8)17(2)3)20(19)10-6-4-9(14)5-7-10/h4-7H,1-3H3,(H,15,16,18)
InChIKeyUXDAYXPLQJQQQR-UHFFFAOYSA-N
MW311.79 g/mol
LogP1.96
Rot. Bonds3

About 5-(4-chlorophenyl)sulfinyl-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one

5-(4-chlorophenyl)sulfinyl-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135743966) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfinyl-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfinyl-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one
PubChem CID135743966
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name5-(4-chlorophenyl)sulfinyl-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N(C)C)[nH]c(=O)c1S(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN3O2S/c1-8-11(12(18)16-13(15-8)17(2)3)20(19)10-6-4-9(14)5-7-10/h4-7H,1-3H3,(H,15,16,18)
InChIKeyUXDAYXPLQJQQQR-UHFFFAOYSA-N
XLogP1.96
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfinyl-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-(4-chlorophenyl)sulfinyl-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one (CID 135743966) is 5-(4-chlorophenyl)sulfinyl-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(4-chlorophenyl)sulfinyl-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(4-chlorophenyl)sulfinyl-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one is Cc1nc(N(C)C)[nH]c(=O)c1S(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)sulfinyl-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is UXDAYXPLQJQQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-8-11(12(18)16-13(15-8)17(2)3)20(19)10-6-4-9(14)5-7-10/h4-7H,1-3H3,(H,15,16,18).
What are the key properties of 5-(4-chlorophenyl)sulfinyl-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one?
5-(4-chlorophenyl)sulfinyl-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 311.79 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfinyl-2-(dimethylamino)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135743966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).