6-(3-methylbutan-2-ylsulfanyl)-2-phenylpyrimidin-4-amine

C15H19N3S — CID 107765461

IUPAC6-(3-methylbutan-2-ylsulfanyl)-2-phenylpyrimidin-4-amine
SMILESCC(C)C(C)Sc1cc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C15H19N3S/c1-10(2)11(3)19-14-9-13(16)17-15(18-14)12-7-5-4-6-8-12/h4-11H,1-3H3,(H2,16,17,18)
InChIKeyNYXHQAJZOPMPEU-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.86
Rot. Bonds4

About 6-(3-methylbutan-2-ylsulfanyl)-2-phenylpyrimidin-4-amine

6-(3-methylbutan-2-ylsulfanyl)-2-phenylpyrimidin-4-amine (PubChem CID 107765461) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 6-(3-methylbutan-2-ylsulfanyl)-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methylbutan-2-ylsulfanyl)-2-phenylpyrimidin-4-amine
PubChem CID107765461
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name6-(3-methylbutan-2-ylsulfanyl)-2-phenylpyrimidin-4-amine
SMILESCC(C)C(C)Sc1cc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C15H19N3S/c1-10(2)11(3)19-14-9-13(16)17-15(18-14)12-7-5-4-6-8-12/h4-11H,1-3H3,(H2,16,17,18)
InChIKeyNYXHQAJZOPMPEU-UHFFFAOYSA-N
XLogP3.86
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbutan-2-ylsulfanyl)-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-(3-methylbutan-2-ylsulfanyl)-2-phenylpyrimidin-4-amine (CID 107765461) is 6-(3-methylbutan-2-ylsulfanyl)-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-methylbutan-2-ylsulfanyl)-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-(3-methylbutan-2-ylsulfanyl)-2-phenylpyrimidin-4-amine is CC(C)C(C)Sc1cc(N)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(3-methylbutan-2-ylsulfanyl)-2-phenylpyrimidin-4-amine?
The InChIKey is NYXHQAJZOPMPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-10(2)11(3)19-14-9-13(16)17-15(18-14)12-7-5-4-6-8-12/h4-11H,1-3H3,(H2,16,17,18).
What are the key properties of 6-(3-methylbutan-2-ylsulfanyl)-2-phenylpyrimidin-4-amine?
6-(3-methylbutan-2-ylsulfanyl)-2-phenylpyrimidin-4-amine has a molecular weight of 273.40 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbutan-2-ylsulfanyl)-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 107765461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).