4-(4-methoxyphenoxy)-6-phenylsulfanylpyrimidin-5-amine

C17H15N3O2S — CID 19149780

IUPAC4-(4-methoxyphenoxy)-6-phenylsulfanylpyrimidin-5-amine
SMILESCOc1ccc(Oc2ncnc(Sc3ccccc3)c2N)cc1
InChIInChI=1S/C17H15N3O2S/c1-21-12-7-9-13(10-8-12)22-16-15(18)17(20-11-19-16)23-14-5-3-2-4-6-14/h2-11H,18H2,1H3
InChIKeyZSLBMMOOLHAGGW-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.01
Rot. Bonds5

About 4-(4-methoxyphenoxy)-6-phenylsulfanylpyrimidin-5-amine

4-(4-methoxyphenoxy)-6-phenylsulfanylpyrimidin-5-amine (PubChem CID 19149780) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-6-phenylsulfanylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-6-phenylsulfanylpyrimidin-5-amine
PubChem CID19149780
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name4-(4-methoxyphenoxy)-6-phenylsulfanylpyrimidin-5-amine
SMILESCOc1ccc(Oc2ncnc(Sc3ccccc3)c2N)cc1
InChIInChI=1S/C17H15N3O2S/c1-21-12-7-9-13(10-8-12)22-16-15(18)17(20-11-19-16)23-14-5-3-2-4-6-14/h2-11H,18H2,1H3
InChIKeyZSLBMMOOLHAGGW-UHFFFAOYSA-N
XLogP4.01
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-chlorophenyl)sulfanyl-6-(4-methoxyphenoxy)pyrimidin-5-amine
CID 19136685
4-(4-methylphenoxy)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
CID 19149920
4-(4-chlorophenyl)sulfanyl-6-(4-methylphenoxy)pyrimidin-5-amine
CID 19136635
4-(3,5-dimethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine
CID 22540861
4-(4-ethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine
CID 19154279
4-N-[(4-methoxyphenyl)methyl]-6-phenoxypyrimidine-4,5-diamine
CID 19142606
4-(4-chlorophenyl)sulfanyl-6-pyridin-3-yloxypyrimidin-5-amine
CID 19136647
4-chloro-6-phenylsulfanylpyrimidin-5-amine
CID 11637278
6-(4-methoxyphenoxy)-4-N-pyridin-2-ylpyrimidine-4,5-diamine
CID 19147057
6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80870116
8-(4-methoxyphenyl)-6-phenylsulfanyl-7H-purine
CID 118537732
4-(2-methoxyphenoxy)-6-quinolin-8-ylsulfanylpyrimidin-5-amine
CID 19154386

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-6-phenylsulfanylpyrimidin-5-amine?
The IUPAC name of 4-(4-methoxyphenoxy)-6-phenylsulfanylpyrimidin-5-amine (CID 19149780) is 4-(4-methoxyphenoxy)-6-phenylsulfanylpyrimidin-5-amine.
What is the SMILES notation for 4-(4-methoxyphenoxy)-6-phenylsulfanylpyrimidin-5-amine?
The canonical SMILES for 4-(4-methoxyphenoxy)-6-phenylsulfanylpyrimidin-5-amine is COc1ccc(Oc2ncnc(Sc3ccccc3)c2N)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-6-phenylsulfanylpyrimidin-5-amine?
The InChIKey is ZSLBMMOOLHAGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-21-12-7-9-13(10-8-12)22-16-15(18)17(20-11-19-16)23-14-5-3-2-4-6-14/h2-11H,18H2,1H3.
What are the key properties of 4-(4-methoxyphenoxy)-6-phenylsulfanylpyrimidin-5-amine?
4-(4-methoxyphenoxy)-6-phenylsulfanylpyrimidin-5-amine has a molecular weight of 325.39 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-6-phenylsulfanylpyrimidin-5-amine is sourced from PubChem (CID 19149780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).