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

C13H15N3OS — CID 22674310

IUPACN-methyl-4-(2-methylphenoxy)-2-methylsulfanylpyrimidin-5-amine
SMILESCNc1cnc(SC)nc1Oc1ccccc1C
InChIInChI=1S/C13H15N3OS/c1-9-6-4-5-7-11(9)17-12-10(14-2)8-15-13(16-12)18-3/h4-8,14H,1-3H3
InChIKeyHIJKMKKNNOXLIO-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.34
Rot. Bonds4

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

N-methyl-4-(2-methylphenoxy)-2-methylsulfanylpyrimidin-5-amine (PubChem CID 22674310) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-methyl-4-(2-methylphenoxy)-2-methylsulfanylpyrimidin-5-amine.

Molecular Properties

Compound NameN-methyl-4-(2-methylphenoxy)-2-methylsulfanylpyrimidin-5-amine
PubChem CID22674310
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-methyl-4-(2-methylphenoxy)-2-methylsulfanylpyrimidin-5-amine
SMILESCNc1cnc(SC)nc1Oc1ccccc1C
InChIInChI=1S/C13H15N3OS/c1-9-6-4-5-7-11(9)17-12-10(14-2)8-15-13(16-12)18-3/h4-8,14H,1-3H3
InChIKeyHIJKMKKNNOXLIO-UHFFFAOYSA-N
XLogP3.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylphenoxy)-2-methylsulfanylpyrimidin-5-amine?
The IUPAC name of N-methyl-4-(2-methylphenoxy)-2-methylsulfanylpyrimidin-5-amine (CID 22674310) is N-methyl-4-(2-methylphenoxy)-2-methylsulfanylpyrimidin-5-amine.
What is the SMILES notation for N-methyl-4-(2-methylphenoxy)-2-methylsulfanylpyrimidin-5-amine?
The canonical SMILES for N-methyl-4-(2-methylphenoxy)-2-methylsulfanylpyrimidin-5-amine is CNc1cnc(SC)nc1Oc1ccccc1C.
What is the InChIKey of N-methyl-4-(2-methylphenoxy)-2-methylsulfanylpyrimidin-5-amine?
The InChIKey is HIJKMKKNNOXLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9-6-4-5-7-11(9)17-12-10(14-2)8-15-13(16-12)18-3/h4-8,14H,1-3H3.
What are the key properties of N-methyl-4-(2-methylphenoxy)-2-methylsulfanylpyrimidin-5-amine?
N-methyl-4-(2-methylphenoxy)-2-methylsulfanylpyrimidin-5-amine has a molecular weight of 261.35 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylphenoxy)-2-methylsulfanylpyrimidin-5-amine is sourced from PubChem (CID 22674310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).