4-N-(4-chloro-2-iodophenyl)-2-propan-2-ylpyrimidine-4,6-diamine

C13H14ClIN4 — CID 107639116

IUPAC4-N-(4-chloro-2-iodophenyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1nc(N)cc(Nc2ccc(Cl)cc2I)n1
InChIInChI=1S/C13H14ClIN4/c1-7(2)13-18-11(16)6-12(19-13)17-10-4-3-8(14)5-9(10)15/h3-7H,1-2H3,(H3,16,17,18,19)
InChIKeyIYSVYWGMBRLBPN-UHFFFAOYSA-N
MW388.64 g/mol
LogP4.18
Rot. Bonds3

About 4-N-(4-chloro-2-iodophenyl)-2-propan-2-ylpyrimidine-4,6-diamine

4-N-(4-chloro-2-iodophenyl)-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 107639116) has the molecular formula C13H14ClIN4 and a molecular weight of 388.64 g/mol. Its IUPAC name is 4-N-(4-chloro-2-iodophenyl)-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-chloro-2-iodophenyl)-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID107639116
Molecular FormulaC13H14ClIN4
Molecular Weight388.64 g/mol
Exact Mass388.00
IUPAC Name4-N-(4-chloro-2-iodophenyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1nc(N)cc(Nc2ccc(Cl)cc2I)n1
InChIInChI=1S/C13H14ClIN4/c1-7(2)13-18-11(16)6-12(19-13)17-10-4-3-8(14)5-9(10)15/h3-7H,1-2H3,(H3,16,17,18,19)
InChIKeyIYSVYWGMBRLBPN-UHFFFAOYSA-N
XLogP4.18
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.64
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-N-(4-chloro-2-iodophenyl)-2-propan-2-ylpyrimidine-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

4-N-(4-bromo-2-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955693
6-chloro-N-(2,4-dichlorophenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80947983
4-N-(2-methoxy-5-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955939
N-(5-chloro-2-methylphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80968585
4-N-(3-chloro-4-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956194
4-N-(5-bromo-2,4-difluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 102855477
4-N-(3,5-dichloro-4-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 107580802
2-N-(4-chloro-2-iodophenyl)pyridine-2,5-diamine
CID 107634143
4-N-naphthalen-2-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967290
N-(4-chloro-2-iodophenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 107639573
6-(4-chlorophenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80965679
4-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955801

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chloro-2-iodophenyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-chloro-2-iodophenyl)-2-propan-2-ylpyrimidine-4,6-diamine (CID 107639116) is 4-N-(4-chloro-2-iodophenyl)-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-chloro-2-iodophenyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-chloro-2-iodophenyl)-2-propan-2-ylpyrimidine-4,6-diamine is CC(C)c1nc(N)cc(Nc2ccc(Cl)cc2I)n1.
What is the InChIKey of 4-N-(4-chloro-2-iodophenyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is IYSVYWGMBRLBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClIN4/c1-7(2)13-18-11(16)6-12(19-13)17-10-4-3-8(14)5-9(10)15/h3-7H,1-2H3,(H3,16,17,18,19).
What are the key properties of 4-N-(4-chloro-2-iodophenyl)-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-(4-chloro-2-iodophenyl)-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 388.64 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chloro-2-iodophenyl)-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 107639116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).