4-(4-chlorophenyl)sulfanyl-6-(4-methoxyphenoxy)pyrimidin-5-amine

C17H14ClN3O2S — CID 19136685

IUPAC4-(4-chlorophenyl)sulfanyl-6-(4-methoxyphenoxy)pyrimidin-5-amine
SMILESCOc1ccc(Oc2ncnc(Sc3ccc(Cl)cc3)c2N)cc1
InChIInChI=1S/C17H14ClN3O2S/c1-22-12-4-6-13(7-5-12)23-16-15(19)17(21-10-20-16)24-14-8-2-11(18)3-9-14/h2-10H,19H2,1H3
InChIKeyZTJMAQMSUAOIQR-UHFFFAOYSA-N
MW359.84 g/mol
LogP4.66
Rot. Bonds5

About 4-(4-chlorophenyl)sulfanyl-6-(4-methoxyphenoxy)pyrimidin-5-amine

4-(4-chlorophenyl)sulfanyl-6-(4-methoxyphenoxy)pyrimidin-5-amine (PubChem CID 19136685) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanyl-6-(4-methoxyphenoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanyl-6-(4-methoxyphenoxy)pyrimidin-5-amine
PubChem CID19136685
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC Name4-(4-chlorophenyl)sulfanyl-6-(4-methoxyphenoxy)pyrimidin-5-amine
SMILESCOc1ccc(Oc2ncnc(Sc3ccc(Cl)cc3)c2N)cc1
InChIInChI=1S/C17H14ClN3O2S/c1-22-12-4-6-13(7-5-12)23-16-15(19)17(21-10-20-16)24-14-8-2-11(18)3-9-14/h2-10H,19H2,1H3
InChIKeyZTJMAQMSUAOIQR-UHFFFAOYSA-N
XLogP4.66
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-chlorophenyl)sulfanyl-6-(4-methoxyphenoxy)pyrimidin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-chlorophenyl)sulfanyl-6-(4-methylphenoxy)pyrimidin-5-amine
CID 19136635
4-(4-methoxyphenoxy)-6-phenylsulfanylpyrimidin-5-amine
CID 19149780
4-(4-methylphenoxy)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
CID 19149920
4-(4-chlorophenyl)sulfanyl-6-pyridin-3-yloxypyrimidin-5-amine
CID 19136647
6-(4-chlorophenyl)sulfanyl-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 19136592
4-(4-chlorophenyl)sulfanyl-6-cyclohexyloxypyrimidin-5-amine
CID 19136683
4-(3,5-dimethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine
CID 22540861
4-(4-ethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine
CID 19154279
6-(4-chlorophenyl)sulfanyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine
CID 19136670
4-chloro-6-(4-methoxyphenyl)sulfanylpyrimidine
CID 61280001
4-ethoxy-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
CID 19149917
6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80870116

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanyl-6-(4-methoxyphenoxy)pyrimidin-5-amine?
The IUPAC name of 4-(4-chlorophenyl)sulfanyl-6-(4-methoxyphenoxy)pyrimidin-5-amine (CID 19136685) is 4-(4-chlorophenyl)sulfanyl-6-(4-methoxyphenoxy)pyrimidin-5-amine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanyl-6-(4-methoxyphenoxy)pyrimidin-5-amine?
The canonical SMILES for 4-(4-chlorophenyl)sulfanyl-6-(4-methoxyphenoxy)pyrimidin-5-amine is COc1ccc(Oc2ncnc(Sc3ccc(Cl)cc3)c2N)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfanyl-6-(4-methoxyphenoxy)pyrimidin-5-amine?
The InChIKey is ZTJMAQMSUAOIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c1-22-12-4-6-13(7-5-12)23-16-15(19)17(21-10-20-16)24-14-8-2-11(18)3-9-14/h2-10H,19H2,1H3.
What are the key properties of 4-(4-chlorophenyl)sulfanyl-6-(4-methoxyphenoxy)pyrimidin-5-amine?
4-(4-chlorophenyl)sulfanyl-6-(4-methoxyphenoxy)pyrimidin-5-amine has a molecular weight of 359.84 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfanyl-6-(4-methoxyphenoxy)pyrimidin-5-amine is sourced from PubChem (CID 19136685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).