6-(4-chloro-2,6-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine

C14H16ClN3OS — CID 80863333

IUPAC6-(4-chloro-2,6-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCNc1cc(Oc2c(C)cc(Cl)cc2C)nc(SC)n1
InChIInChI=1S/C14H16ClN3OS/c1-8-5-10(15)6-9(2)13(8)19-12-7-11(16-3)17-14(18-12)20-4/h5-7H,1-4H3,(H,16,17,18)
InChIKeyNSLWVAWUFNQYLC-UHFFFAOYSA-N
MW309.82 g/mol
LogP4.30
Rot. Bonds4

About 6-(4-chloro-2,6-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine

6-(4-chloro-2,6-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80863333) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is 6-(4-chloro-2,6-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chloro-2,6-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID80863333
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name6-(4-chloro-2,6-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCNc1cc(Oc2c(C)cc(Cl)cc2C)nc(SC)n1
InChIInChI=1S/C14H16ClN3OS/c1-8-5-10(15)6-9(2)13(8)19-12-7-11(16-3)17-14(18-12)20-4/h5-7H,1-4H3,(H,16,17,18)
InChIKeyNSLWVAWUFNQYLC-UHFFFAOYSA-N
XLogP4.30
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-chloro-2,6-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine with MolForge

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Related Compounds

6-(3,4-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80864389
6-(2-fluoro-3-methylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 107662702
[2-methylsulfanyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-yl]hydrazine
CID 80916728
4-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)oxy-3,5-dimethylbenzonitrile
CID 80925312
6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 103176374
6-(2-iodophenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80875276
[4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]oxyphenyl]methanol
CID 80871561
6-(2-chloro-4-nitrophenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80878734
N-methyl-2-methylsulfanyl-6-(4-methylsulfonylphenoxy)pyrimidin-4-amine
CID 80875303
6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 102723684
4-(4-chloro-2,6-dimethylphenoxy)-N-methylpyrimidin-2-amine
CID 80863471
[6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropylpyrimidin-4-yl]hydrazine
CID 80969541

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2,6-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-(4-chloro-2,6-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine (CID 80863333) is 6-(4-chloro-2,6-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-chloro-2,6-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-(4-chloro-2,6-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine is CNc1cc(Oc2c(C)cc(Cl)cc2C)nc(SC)n1.
What is the InChIKey of 6-(4-chloro-2,6-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is NSLWVAWUFNQYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c1-8-5-10(15)6-9(2)13(8)19-12-7-11(16-3)17-14(18-12)20-4/h5-7H,1-4H3,(H,16,17,18).
What are the key properties of 6-(4-chloro-2,6-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
6-(4-chloro-2,6-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 309.82 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2,6-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80863333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).