2-phenyl-6-(phenylsulfanylmethyl)-N-propan-2-ylpyrimidin-4-amine

C20H21N3S — CID 2767424

IUPAC2-phenyl-6-(phenylsulfanylmethyl)-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)Nc1cc(CSc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H21N3S/c1-15(2)21-19-13-17(14-24-18-11-7-4-8-12-18)22-20(23-19)16-9-5-3-6-10-16/h3-13,15H,14H2,1-2H3,(H,21,22,23)
InChIKeyLDQGPWQZZFXLKY-UHFFFAOYSA-N
MW335.48 g/mol
LogP5.26
Rot. Bonds6

About 2-phenyl-6-(phenylsulfanylmethyl)-N-propan-2-ylpyrimidin-4-amine

2-phenyl-6-(phenylsulfanylmethyl)-N-propan-2-ylpyrimidin-4-amine (PubChem CID 2767424) has the molecular formula C20H21N3S and a molecular weight of 335.48 g/mol. Its IUPAC name is 2-phenyl-6-(phenylsulfanylmethyl)-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-phenyl-6-(phenylsulfanylmethyl)-N-propan-2-ylpyrimidin-4-amine
PubChem CID2767424
Molecular FormulaC20H21N3S
Molecular Weight335.48 g/mol
Exact Mass335.15
IUPAC Name2-phenyl-6-(phenylsulfanylmethyl)-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)Nc1cc(CSc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H21N3S/c1-15(2)21-19-13-17(14-24-18-11-7-4-8-12-18)22-20(23-19)16-9-5-3-6-10-16/h3-13,15H,14H2,1-2H3,(H,21,22,23)
InChIKeyLDQGPWQZZFXLKY-UHFFFAOYSA-N
XLogP5.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.48
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-(phenylsulfanylmethyl)-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-phenyl-6-(phenylsulfanylmethyl)-N-propan-2-ylpyrimidin-4-amine (CID 2767424) is 2-phenyl-6-(phenylsulfanylmethyl)-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-phenyl-6-(phenylsulfanylmethyl)-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-phenyl-6-(phenylsulfanylmethyl)-N-propan-2-ylpyrimidin-4-amine is CC(C)Nc1cc(CSc2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-6-(phenylsulfanylmethyl)-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is LDQGPWQZZFXLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3S/c1-15(2)21-19-13-17(14-24-18-11-7-4-8-12-18)22-20(23-19)16-9-5-3-6-10-16/h3-13,15H,14H2,1-2H3,(H,21,22,23).
What are the key properties of 2-phenyl-6-(phenylsulfanylmethyl)-N-propan-2-ylpyrimidin-4-amine?
2-phenyl-6-(phenylsulfanylmethyl)-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 335.48 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-(phenylsulfanylmethyl)-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 2767424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).