6-benzyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine

C19H19N3S — CID 46861690

IUPAC6-benzyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine
SMILESCc1ccccc1CSc1nc(N)cc(Cc2ccccc2)n1
InChIInChI=1S/C19H19N3S/c1-14-7-5-6-10-16(14)13-23-19-21-17(12-18(20)22-19)11-15-8-3-2-4-9-15/h2-10,12H,11,13H2,1H3,(H2,20,21,22)
InChIKeyPPZQXNGAPZLOFN-UHFFFAOYSA-N
MW321.45 g/mol
LogP4.25
Rot. Bonds5

About 6-benzyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine

6-benzyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine (PubChem CID 46861690) has the molecular formula C19H19N3S and a molecular weight of 321.45 g/mol. Its IUPAC name is 6-benzyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-benzyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine
PubChem CID46861690
Molecular FormulaC19H19N3S
Molecular Weight321.45 g/mol
Exact Mass321.13
IUPAC Name6-benzyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine
SMILESCc1ccccc1CSc1nc(N)cc(Cc2ccccc2)n1
InChIInChI=1S/C19H19N3S/c1-14-7-5-6-10-16(14)13-23-19-21-17(12-18(20)22-19)11-15-8-3-2-4-9-15/h2-10,12H,11,13H2,1H3,(H2,20,21,22)
InChIKeyPPZQXNGAPZLOFN-UHFFFAOYSA-N
XLogP4.25
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine?
The IUPAC name of 6-benzyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine (CID 46861690) is 6-benzyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine.
What is the SMILES notation for 6-benzyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine?
The canonical SMILES for 6-benzyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine is Cc1ccccc1CSc1nc(N)cc(Cc2ccccc2)n1.
What is the InChIKey of 6-benzyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine?
The InChIKey is PPZQXNGAPZLOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3S/c1-14-7-5-6-10-16(14)13-23-19-21-17(12-18(20)22-19)11-15-8-3-2-4-9-15/h2-10,12H,11,13H2,1H3,(H2,20,21,22).
What are the key properties of 6-benzyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine?
6-benzyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine has a molecular weight of 321.45 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 46861690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).