2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1-phenylpropan-1-amine

C16H21N3S — CID 64633701

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1-phenylpropan-1-amine
SMILESCNC(c1ccccc1)C(C)Sc1nc(C)cc(C)n1
InChIInChI=1S/C16H21N3S/c1-11-10-12(2)19-16(18-11)20-13(3)15(17-4)14-8-6-5-7-9-14/h5-10,13,15,17H,1-4H3
InChIKeyXVEMEBDMXXNIJA-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.53
Rot. Bonds5

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1-phenylpropan-1-amine

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1-phenylpropan-1-amine (PubChem CID 64633701) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1-phenylpropan-1-amine
PubChem CID64633701
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1-phenylpropan-1-amine
SMILESCNC(c1ccccc1)C(C)Sc1nc(C)cc(C)n1
InChIInChI=1S/C16H21N3S/c1-11-10-12(2)19-16(18-11)20-13(3)15(17-4)14-8-6-5-7-9-14/h5-10,13,15,17H,1-4H3
InChIKeyXVEMEBDMXXNIJA-UHFFFAOYSA-N
XLogP3.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1-phenylpropan-1-amine?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1-phenylpropan-1-amine (CID 64633701) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1-phenylpropan-1-amine?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1-phenylpropan-1-amine is CNC(c1ccccc1)C(C)Sc1nc(C)cc(C)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1-phenylpropan-1-amine?
The InChIKey is XVEMEBDMXXNIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-11-10-12(2)19-16(18-11)20-13(3)15(17-4)14-8-6-5-7-9-14/h5-10,13,15,17H,1-4H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1-phenylpropan-1-amine?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1-phenylpropan-1-amine has a molecular weight of 287.43 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 64633701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).