4-N-(3-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine

C16H12Cl2N4S — CID 19136585

IUPAC4-N-(3-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine
SMILESNc1c(Nc2cccc(Cl)c2)ncnc1Sc1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl2N4S/c17-10-4-6-13(7-5-10)23-16-14(19)15(20-9-21-16)22-12-3-1-2-11(18)8-12/h1-9H,19H2,(H,20,21,22)
InChIKeyINPRDIVYXOQDMD-UHFFFAOYSA-N
MW363.27 g/mol
LogP5.26
Rot. Bonds4

About 4-N-(3-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine

4-N-(3-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine (PubChem CID 19136585) has the molecular formula C16H12Cl2N4S and a molecular weight of 363.27 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine
PubChem CID19136585
Molecular FormulaC16H12Cl2N4S
Molecular Weight363.27 g/mol
Exact Mass362.02
IUPAC Name4-N-(3-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine
SMILESNc1c(Nc2cccc(Cl)c2)ncnc1Sc1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl2N4S/c17-10-4-6-13(7-5-10)23-16-14(19)15(20-9-21-16)22-12-3-1-2-11(18)8-12/h1-9H,19H2,(H,20,21,22)
InChIKeyINPRDIVYXOQDMD-UHFFFAOYSA-N
XLogP5.26
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.27
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-chlorophenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
CID 19148358
6-(4-chlorophenyl)sulfanyl-4-N-(3,5-dichlorophenyl)pyrimidine-4,5-diamine
CID 22544900
1-[3-[[5-amino-6-(4-chlorophenyl)sulfanylpyrimidin-4-yl]amino]phenyl]ethanone
CID 22547377
4-N-(3-chloro-4-fluorophenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine
CID 19136643
6-(4-chlorophenyl)sulfanyl-4-N-(2,5-dichlorophenyl)pyrimidine-4,5-diamine
CID 19136571
4-N-(3-chloro-4-fluorophenyl)-6-phenylsulfanylpyrimidine-4,5-diamine
CID 19149738
6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544979
4-N-(2-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine
CID 19136581
6-(4-chlorophenyl)sulfanyl-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 19136592
4-N-(3-chloro-2-methylphenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine
CID 22545323
dimethyl 5-[[5-amino-6-(4-chlorophenyl)sulfanylpyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22547577
4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148233

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-(3-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine (CID 19136585) is 4-N-(3-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(3-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(3-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine is Nc1c(Nc2cccc(Cl)c2)ncnc1Sc1ccc(Cl)cc1.
What is the InChIKey of 4-N-(3-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine?
The InChIKey is INPRDIVYXOQDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4S/c17-10-4-6-13(7-5-10)23-16-14(19)15(20-9-21-16)22-12-3-1-2-11(18)8-12/h1-9H,19H2,(H,20,21,22).
What are the key properties of 4-N-(3-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine?
4-N-(3-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine has a molecular weight of 363.27 g/mol, XLogP of 5.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine is sourced from PubChem (CID 19136585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).