N-methyl-4-(2-methylphenyl)-2-methylsulfanylpyrimidin-5-amine

C13H15N3S — CID 23512569

IUPACN-methyl-4-(2-methylphenyl)-2-methylsulfanylpyrimidin-5-amine
SMILESCNc1cnc(SC)nc1-c1ccccc1C
InChIInChI=1S/C13H15N3S/c1-9-6-4-5-7-10(9)12-11(14-2)8-15-13(16-12)17-3/h4-8,14H,1-3H3
InChIKeySOAYVVGHTCQLDR-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.22
Rot. Bonds3

About N-methyl-4-(2-methylphenyl)-2-methylsulfanylpyrimidin-5-amine

N-methyl-4-(2-methylphenyl)-2-methylsulfanylpyrimidin-5-amine (PubChem CID 23512569) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-methyl-4-(2-methylphenyl)-2-methylsulfanylpyrimidin-5-amine.

Molecular Properties

Compound NameN-methyl-4-(2-methylphenyl)-2-methylsulfanylpyrimidin-5-amine
PubChem CID23512569
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC NameN-methyl-4-(2-methylphenyl)-2-methylsulfanylpyrimidin-5-amine
SMILESCNc1cnc(SC)nc1-c1ccccc1C
InChIInChI=1S/C13H15N3S/c1-9-6-4-5-7-10(9)12-11(14-2)8-15-13(16-12)17-3/h4-8,14H,1-3H3
InChIKeySOAYVVGHTCQLDR-UHFFFAOYSA-N
XLogP3.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylphenyl)-2-methylsulfanylpyrimidin-5-amine?
The IUPAC name of N-methyl-4-(2-methylphenyl)-2-methylsulfanylpyrimidin-5-amine (CID 23512569) is N-methyl-4-(2-methylphenyl)-2-methylsulfanylpyrimidin-5-amine.
What is the SMILES notation for N-methyl-4-(2-methylphenyl)-2-methylsulfanylpyrimidin-5-amine?
The canonical SMILES for N-methyl-4-(2-methylphenyl)-2-methylsulfanylpyrimidin-5-amine is CNc1cnc(SC)nc1-c1ccccc1C.
What is the InChIKey of N-methyl-4-(2-methylphenyl)-2-methylsulfanylpyrimidin-5-amine?
The InChIKey is SOAYVVGHTCQLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-9-6-4-5-7-10(9)12-11(14-2)8-15-13(16-12)17-3/h4-8,14H,1-3H3.
What are the key properties of N-methyl-4-(2-methylphenyl)-2-methylsulfanylpyrimidin-5-amine?
N-methyl-4-(2-methylphenyl)-2-methylsulfanylpyrimidin-5-amine has a molecular weight of 245.35 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylphenyl)-2-methylsulfanylpyrimidin-5-amine is sourced from PubChem (CID 23512569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).