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

C17H15ClN4S — CID 19148358

IUPAC4-N-(3-chlorophenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
SMILESCc1ccc(Sc2ncnc(Nc3cccc(Cl)c3)c2N)cc1
InChIInChI=1S/C17H15ClN4S/c1-11-5-7-14(8-6-11)23-17-15(19)16(20-10-21-17)22-13-4-2-3-12(18)9-13/h2-10H,19H2,1H3,(H,20,21,22)
InChIKeyOUXOQJLAKYWPNB-UHFFFAOYSA-N
MW342.86 g/mol
LogP4.92
Rot. Bonds4

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

4-N-(3-chlorophenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine (PubChem CID 19148358) has the molecular formula C17H15ClN4S and a molecular weight of 342.86 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
PubChem CID19148358
Molecular FormulaC17H15ClN4S
Molecular Weight342.86 g/mol
Exact Mass342.07
IUPAC Name4-N-(3-chlorophenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
SMILESCc1ccc(Sc2ncnc(Nc3cccc(Cl)c3)c2N)cc1
InChIInChI=1S/C17H15ClN4S/c1-11-5-7-14(8-6-11)23-17-15(19)16(20-10-21-17)22-13-4-2-3-12(18)9-13/h2-10H,19H2,1H3,(H,20,21,22)
InChIKeyOUXOQJLAKYWPNB-UHFFFAOYSA-N
XLogP4.92
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.86
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine
CID 19136585
4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148233
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
6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544979
4-N-(3-chloro-4-fluorophenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine
CID 19136643
4-hydrazinyl-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
CID 19149890
4-N-(3-chloro-4-fluorophenyl)-6-phenylsulfanylpyrimidine-4,5-diamine
CID 19149738
4-N-(3-chloro-2-methylphenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine
CID 22545323
6-(4-chlorophenyl)sulfanyl-4-N-(2,5-dichlorophenyl)pyrimidine-4,5-diamine
CID 19136571
6-(4-chlorophenyl)sulfanyl-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 19136592
6-(4-methylphenyl)sulfanyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine
CID 19149943

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-(3-chlorophenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine (CID 19148358) is 4-N-(3-chlorophenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(3-chlorophenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(3-chlorophenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine is Cc1ccc(Sc2ncnc(Nc3cccc(Cl)c3)c2N)cc1.
What is the InChIKey of 4-N-(3-chlorophenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine?
The InChIKey is OUXOQJLAKYWPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4S/c1-11-5-7-14(8-6-11)23-17-15(19)16(20-10-21-17)22-13-4-2-3-12(18)9-13/h2-10H,19H2,1H3,(H,20,21,22).
What are the key properties of 4-N-(3-chlorophenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine?
4-N-(3-chlorophenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine has a molecular weight of 342.86 g/mol, XLogP of 4.92, 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-methylphenyl)sulfanylpyrimidine-4,5-diamine is sourced from PubChem (CID 19148358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).