N-methyl-6-(methylsulfanylmethyl)-N,2-diphenylpyrimidin-4-amine

C19H19N3S — CID 3743910

IUPACN-methyl-6-(methylsulfanylmethyl)-N,2-diphenylpyrimidin-4-amine
SMILESCSCc1cc(N(C)c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C19H19N3S/c1-22(17-11-7-4-8-12-17)18-13-16(14-23-2)20-19(21-18)15-9-5-3-6-10-15/h3-13H,14H2,1-2H3
InChIKeyFKTJANUKUFNCOX-UHFFFAOYSA-N
MW321.45 g/mol
LogP4.77
Rot. Bonds5

About N-methyl-6-(methylsulfanylmethyl)-N,2-diphenylpyrimidin-4-amine

N-methyl-6-(methylsulfanylmethyl)-N,2-diphenylpyrimidin-4-amine (PubChem CID 3743910) has the molecular formula C19H19N3S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-methyl-6-(methylsulfanylmethyl)-N,2-diphenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(methylsulfanylmethyl)-N,2-diphenylpyrimidin-4-amine
PubChem CID3743910
Molecular FormulaC19H19N3S
Molecular Weight321.45 g/mol
Exact Mass321.13
IUPAC NameN-methyl-6-(methylsulfanylmethyl)-N,2-diphenylpyrimidin-4-amine
SMILESCSCc1cc(N(C)c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C19H19N3S/c1-22(17-11-7-4-8-12-17)18-13-16(14-23-2)20-19(21-18)15-9-5-3-6-10-15/h3-13H,14H2,1-2H3
InChIKeyFKTJANUKUFNCOX-UHFFFAOYSA-N
XLogP4.77
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(methylsulfanylmethyl)-N,2-diphenylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-(methylsulfanylmethyl)-N,2-diphenylpyrimidin-4-amine (CID 3743910) is N-methyl-6-(methylsulfanylmethyl)-N,2-diphenylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(methylsulfanylmethyl)-N,2-diphenylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(methylsulfanylmethyl)-N,2-diphenylpyrimidin-4-amine is CSCc1cc(N(C)c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of N-methyl-6-(methylsulfanylmethyl)-N,2-diphenylpyrimidin-4-amine?
The InChIKey is FKTJANUKUFNCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3S/c1-22(17-11-7-4-8-12-17)18-13-16(14-23-2)20-19(21-18)15-9-5-3-6-10-15/h3-13H,14H2,1-2H3.
What are the key properties of N-methyl-6-(methylsulfanylmethyl)-N,2-diphenylpyrimidin-4-amine?
N-methyl-6-(methylsulfanylmethyl)-N,2-diphenylpyrimidin-4-amine has a molecular weight of 321.45 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(methylsulfanylmethyl)-N,2-diphenylpyrimidin-4-amine is sourced from PubChem (CID 3743910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).