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

C17H14ClN3OS — CID 19136635

IUPAC4-(4-chlorophenyl)sulfanyl-6-(4-methylphenoxy)pyrimidin-5-amine
SMILESCc1ccc(Oc2ncnc(Sc3ccc(Cl)cc3)c2N)cc1
InChIInChI=1S/C17H14ClN3OS/c1-11-2-6-13(7-3-11)22-16-15(19)17(21-10-20-16)23-14-8-4-12(18)5-9-14/h2-10H,19H2,1H3
InChIKeyPAJNWJXZHBFHBB-UHFFFAOYSA-N
MW343.84 g/mol
LogP4.96
Rot. Bonds4

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

4-(4-chlorophenyl)sulfanyl-6-(4-methylphenoxy)pyrimidin-5-amine (PubChem CID 19136635) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanyl-6-(4-methylphenoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanyl-6-(4-methylphenoxy)pyrimidin-5-amine
PubChem CID19136635
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC Name4-(4-chlorophenyl)sulfanyl-6-(4-methylphenoxy)pyrimidin-5-amine
SMILESCc1ccc(Oc2ncnc(Sc3ccc(Cl)cc3)c2N)cc1
InChIInChI=1S/C17H14ClN3OS/c1-11-2-6-13(7-3-11)22-16-15(19)17(21-10-20-16)23-14-8-4-12(18)5-9-14/h2-10H,19H2,1H3
InChIKeyPAJNWJXZHBFHBB-UHFFFAOYSA-N
XLogP4.96
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-chlorophenyl)sulfanyl-6-(4-methylphenoxy)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-methylphenoxy)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
CID 19149920
4-(4-chlorophenyl)sulfanyl-6-(4-methoxyphenoxy)pyrimidin-5-amine
CID 19136685
4-(4-chlorophenyl)sulfanyl-6-pyridin-3-yloxypyrimidin-5-amine
CID 19136647
4-ethoxy-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
CID 19149917
4-(4-methoxyphenoxy)-6-phenylsulfanylpyrimidin-5-amine
CID 19149780
4-(4-chlorophenyl)sulfanyl-6-cyclohexyloxypyrimidin-5-amine
CID 19136683
4-(4-chlorophenyl)sulfanyl-6-(3,5-dimethylphenoxy)-5-nitropyrimidine
CID 23479139
6-(4-chlorophenyl)sulfanyl-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 19136592
4-hydrazinyl-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
CID 19149890
4-N-(5-chloro-2-methoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine
CID 22546079
4-(4-chloro-3,5-dimethylphenoxy)-6-(4-methylphenyl)sulfanyl-5-nitropyrimidine
CID 22534265
4-N-(3-chlorophenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
CID 19148358

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanyl-6-(4-methylphenoxy)pyrimidin-5-amine?
The IUPAC name of 4-(4-chlorophenyl)sulfanyl-6-(4-methylphenoxy)pyrimidin-5-amine (CID 19136635) is 4-(4-chlorophenyl)sulfanyl-6-(4-methylphenoxy)pyrimidin-5-amine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanyl-6-(4-methylphenoxy)pyrimidin-5-amine?
The canonical SMILES for 4-(4-chlorophenyl)sulfanyl-6-(4-methylphenoxy)pyrimidin-5-amine is Cc1ccc(Oc2ncnc(Sc3ccc(Cl)cc3)c2N)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfanyl-6-(4-methylphenoxy)pyrimidin-5-amine?
The InChIKey is PAJNWJXZHBFHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c1-11-2-6-13(7-3-11)22-16-15(19)17(21-10-20-16)23-14-8-4-12(18)5-9-14/h2-10H,19H2,1H3.
What are the key properties of 4-(4-chlorophenyl)sulfanyl-6-(4-methylphenoxy)pyrimidin-5-amine?
4-(4-chlorophenyl)sulfanyl-6-(4-methylphenoxy)pyrimidin-5-amine has a molecular weight of 343.84 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfanyl-6-(4-methylphenoxy)pyrimidin-5-amine is sourced from PubChem (CID 19136635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).