6-(4-chlorophenyl)sulfanyl-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine

C17H15ClN4OS — CID 19136592

IUPAC6-(4-chlorophenyl)sulfanyl-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
SMILESCOc1ccc(Nc2ncnc(Sc3ccc(Cl)cc3)c2N)cc1
InChIInChI=1S/C17H15ClN4OS/c1-23-13-6-4-12(5-7-13)22-16-15(19)17(21-10-20-16)24-14-8-2-11(18)3-9-14/h2-10H,19H2,1H3,(H,20,21,22)
InChIKeyLDGNGMHIAHHEKB-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.62
Rot. Bonds5

About 6-(4-chlorophenyl)sulfanyl-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine

6-(4-chlorophenyl)sulfanyl-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine (PubChem CID 19136592) has the molecular formula C17H15ClN4OS and a molecular weight of 358.85 g/mol. Its IUPAC name is 6-(4-chlorophenyl)sulfanyl-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(4-chlorophenyl)sulfanyl-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
PubChem CID19136592
Molecular FormulaC17H15ClN4OS
Molecular Weight358.85 g/mol
Exact Mass358.07
IUPAC Name6-(4-chlorophenyl)sulfanyl-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
SMILESCOc1ccc(Nc2ncnc(Sc3ccc(Cl)cc3)c2N)cc1
InChIInChI=1S/C17H15ClN4OS/c1-23-13-6-4-12(5-7-13)22-16-15(19)17(21-10-20-16)24-14-8-2-11(18)3-9-14/h2-10H,19H2,1H3,(H,20,21,22)
InChIKeyLDGNGMHIAHHEKB-UHFFFAOYSA-N
XLogP4.62
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-chlorophenyl)sulfanyl-4-N-(3,5-dichlorophenyl)pyrimidine-4,5-diamine
CID 22544900
4-N-(3-chloro-4-fluorophenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine
CID 19136643
4-(4-chlorophenyl)sulfanyl-6-(4-methoxyphenoxy)pyrimidin-5-amine
CID 19136685
dimethyl 5-[[5-amino-6-(4-chlorophenyl)sulfanylpyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22547577
4-N-(3-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine
CID 19136585
6-(4-methylphenyl)sulfanyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine
CID 19149943
4-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19137145
4-N-(5-chloro-2-methylphenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22547262
6-(4-chlorophenyl)sulfanyl-4-N-(2,5-dichlorophenyl)pyrimidine-4,5-diamine
CID 19136571
4-N-(2-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine
CID 19136581
4-N-(4-chlorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19148675
6-(4-chlorophenyl)sulfanyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine
CID 19136670

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)sulfanyl-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(4-chlorophenyl)sulfanyl-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine (CID 19136592) is 6-(4-chlorophenyl)sulfanyl-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(4-chlorophenyl)sulfanyl-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(4-chlorophenyl)sulfanyl-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine is COc1ccc(Nc2ncnc(Sc3ccc(Cl)cc3)c2N)cc1.
What is the InChIKey of 6-(4-chlorophenyl)sulfanyl-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine?
The InChIKey is LDGNGMHIAHHEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4OS/c1-23-13-6-4-12(5-7-13)22-16-15(19)17(21-10-20-16)24-14-8-2-11(18)3-9-14/h2-10H,19H2,1H3,(H,20,21,22).
What are the key properties of 6-(4-chlorophenyl)sulfanyl-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine?
6-(4-chlorophenyl)sulfanyl-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine has a molecular weight of 358.85 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)sulfanyl-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19136592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).