6-(benzenesulfinylmethyl)-N-methyl-2-phenylpyrimidin-4-amine

C18H17N3OS — CID 1489490

IUPAC6-(benzenesulfinylmethyl)-N-methyl-2-phenylpyrimidin-4-amine
SMILESCNc1cc(CS(=O)c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H17N3OS/c1-19-17-12-15(13-23(22)16-10-6-3-7-11-16)20-18(21-17)14-8-4-2-5-9-14/h2-12H,13H2,1H3,(H,19,20,21)
InChIKeyIXINUSNHSMJXMN-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.49
Rot. Bonds5

About 6-(benzenesulfinylmethyl)-N-methyl-2-phenylpyrimidin-4-amine

6-(benzenesulfinylmethyl)-N-methyl-2-phenylpyrimidin-4-amine (PubChem CID 1489490) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 6-(benzenesulfinylmethyl)-N-methyl-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(benzenesulfinylmethyl)-N-methyl-2-phenylpyrimidin-4-amine
PubChem CID1489490
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name6-(benzenesulfinylmethyl)-N-methyl-2-phenylpyrimidin-4-amine
SMILESCNc1cc(CS(=O)c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H17N3OS/c1-19-17-12-15(13-23(22)16-10-6-3-7-11-16)20-18(21-17)14-8-4-2-5-9-14/h2-12H,13H2,1H3,(H,19,20,21)
InChIKeyIXINUSNHSMJXMN-UHFFFAOYSA-N
XLogP3.49
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfinylmethyl)-N-methyl-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-(benzenesulfinylmethyl)-N-methyl-2-phenylpyrimidin-4-amine (CID 1489490) is 6-(benzenesulfinylmethyl)-N-methyl-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-(benzenesulfinylmethyl)-N-methyl-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-(benzenesulfinylmethyl)-N-methyl-2-phenylpyrimidin-4-amine is CNc1cc(CS(=O)c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(benzenesulfinylmethyl)-N-methyl-2-phenylpyrimidin-4-amine?
The InChIKey is IXINUSNHSMJXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-19-17-12-15(13-23(22)16-10-6-3-7-11-16)20-18(21-17)14-8-4-2-5-9-14/h2-12H,13H2,1H3,(H,19,20,21).
What are the key properties of 6-(benzenesulfinylmethyl)-N-methyl-2-phenylpyrimidin-4-amine?
6-(benzenesulfinylmethyl)-N-methyl-2-phenylpyrimidin-4-amine has a molecular weight of 323.42 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfinylmethyl)-N-methyl-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 1489490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).