4-N-(3-chloro-2-methylphenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine

C17H14Cl2N4S — CID 22545323

IUPAC4-N-(3-chloro-2-methylphenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine
SMILESCc1c(Cl)cccc1Nc1ncnc(Sc2ccc(Cl)cc2)c1N
InChIInChI=1S/C17H14Cl2N4S/c1-10-13(19)3-2-4-14(10)23-16-15(20)17(22-9-21-16)24-12-7-5-11(18)6-8-12/h2-9H,20H2,1H3,(H,21,22,23)
InChIKeyMYDRODUYUIAGOK-UHFFFAOYSA-N
MW377.30 g/mol
LogP5.57
Rot. Bonds4

About 4-N-(3-chloro-2-methylphenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine

4-N-(3-chloro-2-methylphenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine (PubChem CID 22545323) has the molecular formula C17H14Cl2N4S and a molecular weight of 377.30 g/mol. Its IUPAC name is 4-N-(3-chloro-2-methylphenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-2-methylphenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine
PubChem CID22545323
Molecular FormulaC17H14Cl2N4S
Molecular Weight377.30 g/mol
Exact Mass376.03
IUPAC Name4-N-(3-chloro-2-methylphenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine
SMILESCc1c(Cl)cccc1Nc1ncnc(Sc2ccc(Cl)cc2)c1N
InChIInChI=1S/C17H14Cl2N4S/c1-10-13(19)3-2-4-14(10)23-16-15(20)17(22-9-21-16)24-12-7-5-11(18)6-8-12/h2-9H,20H2,1H3,(H,21,22,23)
InChIKeyMYDRODUYUIAGOK-UHFFFAOYSA-N
XLogP5.57
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.30
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(3-chloro-2-methylphenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine 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-N-(2-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine
CID 19136581
6-(4-chlorophenyl)sulfanyl-4-N-(2,5-dichlorophenyl)pyrimidine-4,5-diamine
CID 19136571
6-(4-chlorophenyl)sulfanyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 22545533
4-N-(3-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine
CID 19136585
6-(4-chlorophenyl)sulfanyl-4-N-(3,5-dichlorophenyl)pyrimidine-4,5-diamine
CID 22544900
4-N-(3-chlorophenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
CID 19148358
6-N-(3-chloro-2-methylphenyl)-4-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 22545479
4-N-(3-chloro-4-fluorophenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine
CID 19136643
6-(4-chlorophenyl)sulfanyl-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 19136592
1-[3-[[5-amino-6-(4-chlorophenyl)sulfanylpyrimidin-4-yl]amino]phenyl]ethanone
CID 22547377
4-N-(3-chloro-2-methylphenyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22545302
4-(4-chlorophenyl)sulfanyl-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine
CID 19136570

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-2-methylphenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-(3-chloro-2-methylphenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine (CID 22545323) is 4-N-(3-chloro-2-methylphenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(3-chloro-2-methylphenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(3-chloro-2-methylphenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine is Cc1c(Cl)cccc1Nc1ncnc(Sc2ccc(Cl)cc2)c1N.
What is the InChIKey of 4-N-(3-chloro-2-methylphenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine?
The InChIKey is MYDRODUYUIAGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4S/c1-10-13(19)3-2-4-14(10)23-16-15(20)17(22-9-21-16)24-12-7-5-11(18)6-8-12/h2-9H,20H2,1H3,(H,21,22,23).
What are the key properties of 4-N-(3-chloro-2-methylphenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine?
4-N-(3-chloro-2-methylphenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine has a molecular weight of 377.30 g/mol, XLogP of 5.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-2-methylphenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine is sourced from PubChem (CID 22545323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).