4-N-(2-iodophenyl)-2-methylsulfanylpyrimidine-4,6-diamine

C11H11IN4S — CID 80763261

IUPAC4-N-(2-iodophenyl)-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(Nc2ccccc2I)n1
InChIInChI=1S/C11H11IN4S/c1-17-11-15-9(13)6-10(16-11)14-8-5-3-2-4-7(8)12/h2-6H,1H3,(H3,13,14,15,16)
InChIKeyVZXJPVLIDZCGCE-UHFFFAOYSA-N
MW358.21 g/mol
LogP3.13
Rot. Bonds3

About 4-N-(2-iodophenyl)-2-methylsulfanylpyrimidine-4,6-diamine

4-N-(2-iodophenyl)-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 80763261) has the molecular formula C11H11IN4S and a molecular weight of 358.21 g/mol. Its IUPAC name is 4-N-(2-iodophenyl)-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-iodophenyl)-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID80763261
Molecular FormulaC11H11IN4S
Molecular Weight358.21 g/mol
Exact Mass357.97
IUPAC Name4-N-(2-iodophenyl)-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(Nc2ccccc2I)n1
InChIInChI=1S/C11H11IN4S/c1-17-11-15-9(13)6-10(16-11)14-8-5-3-2-4-7(8)12/h2-6H,1H3,(H3,13,14,15,16)
InChIKeyVZXJPVLIDZCGCE-UHFFFAOYSA-N
XLogP3.13
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.21
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-N-(2-iodophenyl)-2-methylsulfanylpyrimidine-4,6-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

6-chloro-N-(2-iodophenyl)-2-methylsulfanylpyrimidin-4-amine
CID 80544731
4-N-(2-ethylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80761502
2-methylsulfanyl-4-N-[2-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 80768573
2-cyclopropyl-4-N-(2-iodophenyl)pyrimidine-4,6-diamine
CID 80956491
2-methylsulfanyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-4,6-diamine
CID 80760061
4-N-isoquinolin-8-yl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80852329
4-N-(3,4-dimethylphenyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 53214462
6-chloro-N-(2-chlorophenyl)-2-methylsulfanylpyrimidin-4-amine
CID 80545283
2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]-5-bromobenzonitrile
CID 82713041
1-N-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106761138
4-N-(1-methylpyrazol-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80849539
2-methylsulfanyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80766259

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-iodophenyl)-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-iodophenyl)-2-methylsulfanylpyrimidine-4,6-diamine (CID 80763261) is 4-N-(2-iodophenyl)-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-iodophenyl)-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-iodophenyl)-2-methylsulfanylpyrimidine-4,6-diamine is CSc1nc(N)cc(Nc2ccccc2I)n1.
What is the InChIKey of 4-N-(2-iodophenyl)-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is VZXJPVLIDZCGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN4S/c1-17-11-15-9(13)6-10(16-11)14-8-5-3-2-4-7(8)12/h2-6H,1H3,(H3,13,14,15,16).
What are the key properties of 4-N-(2-iodophenyl)-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-(2-iodophenyl)-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 358.21 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-iodophenyl)-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80763261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).