5-(benzenesulfonyl)-N,N-dimethyl-2-phenylpyrimidin-4-amine

C18H17N3O2S — CID 1487974

IUPAC5-(benzenesulfonyl)-N,N-dimethyl-2-phenylpyrimidin-4-amine
SMILESCN(C)c1nc(-c2ccccc2)ncc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H17N3O2S/c1-21(2)18-16(24(22,23)15-11-7-4-8-12-15)13-19-17(20-18)14-9-5-3-6-10-14/h3-13H,1-2H3
InChIKeyDTWXHGYNVUCCSA-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.04
Rot. Bonds4

About 5-(benzenesulfonyl)-N,N-dimethyl-2-phenylpyrimidin-4-amine

5-(benzenesulfonyl)-N,N-dimethyl-2-phenylpyrimidin-4-amine (PubChem CID 1487974) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-N,N-dimethyl-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(benzenesulfonyl)-N,N-dimethyl-2-phenylpyrimidin-4-amine
PubChem CID1487974
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name5-(benzenesulfonyl)-N,N-dimethyl-2-phenylpyrimidin-4-amine
SMILESCN(C)c1nc(-c2ccccc2)ncc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H17N3O2S/c1-21(2)18-16(24(22,23)15-11-7-4-8-12-15)13-19-17(20-18)14-9-5-3-6-10-14/h3-13H,1-2H3
InChIKeyDTWXHGYNVUCCSA-UHFFFAOYSA-N
XLogP3.04
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-N,N-dimethyl-2-phenylpyrimidin-4-amine?
The IUPAC name of 5-(benzenesulfonyl)-N,N-dimethyl-2-phenylpyrimidin-4-amine (CID 1487974) is 5-(benzenesulfonyl)-N,N-dimethyl-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-(benzenesulfonyl)-N,N-dimethyl-2-phenylpyrimidin-4-amine?
The canonical SMILES for 5-(benzenesulfonyl)-N,N-dimethyl-2-phenylpyrimidin-4-amine is CN(C)c1nc(-c2ccccc2)ncc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 5-(benzenesulfonyl)-N,N-dimethyl-2-phenylpyrimidin-4-amine?
The InChIKey is DTWXHGYNVUCCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-21(2)18-16(24(22,23)15-11-7-4-8-12-15)13-19-17(20-18)14-9-5-3-6-10-14/h3-13H,1-2H3.
What are the key properties of 5-(benzenesulfonyl)-N,N-dimethyl-2-phenylpyrimidin-4-amine?
5-(benzenesulfonyl)-N,N-dimethyl-2-phenylpyrimidin-4-amine has a molecular weight of 339.42 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-N,N-dimethyl-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 1487974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).