4-N-(4-iodophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine

C12H13IN4 — CID 80763247

IUPAC4-N-(4-iodophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCNc1ncnc(Nc2ccc(I)cc2)c1C
InChIInChI=1S/C12H13IN4/c1-8-11(14-2)15-7-16-12(8)17-10-5-3-9(13)4-6-10/h3-7H,1-2H3,(H2,14,15,16,17)
InChIKeyMCXXKNLANKEPLY-UHFFFAOYSA-N
MW340.17 g/mol
LogP3.17
Rot. Bonds3

About 4-N-(4-iodophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine

4-N-(4-iodophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80763247) has the molecular formula C12H13IN4 and a molecular weight of 340.17 g/mol. Its IUPAC name is 4-N-(4-iodophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-iodophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID80763247
Molecular FormulaC12H13IN4
Molecular Weight340.17 g/mol
Exact Mass340.02
IUPAC Name4-N-(4-iodophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCNc1ncnc(Nc2ccc(I)cc2)c1C
InChIInChI=1S/C12H13IN4/c1-8-11(14-2)15-7-16-12(8)17-10-5-3-9(13)4-6-10/h3-7H,1-2H3,(H2,14,15,16,17)
InChIKeyMCXXKNLANKEPLY-UHFFFAOYSA-N
XLogP3.17
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-(3-bromo-4-iodophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 114262788
4-N-(4-butylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80779469
4-N-(4-iodophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976810
4-N-(3-fluorophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80761354
6-N-(4-iodophenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22545196
4-N-(2-fluorophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80761030
N-(4-bromophenyl)-5,6-dimethylpyrimidin-4-amine
CID 13121229
6-N-(4-iodophenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19148960
4-N-[4-(dimethylamino)phenyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80776616
4-N-(4-iodophenyl)quinazoline-4,6-diamine
CID 64588865
5-fluoro-4-N-(4-iodophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80763314
3-bromo-2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine
CID 104506329

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-iodophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-iodophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine (CID 80763247) is 4-N-(4-iodophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-iodophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-iodophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine is CNc1ncnc(Nc2ccc(I)cc2)c1C.
What is the InChIKey of 4-N-(4-iodophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is MCXXKNLANKEPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN4/c1-8-11(14-2)15-7-16-12(8)17-10-5-3-9(13)4-6-10/h3-7H,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-N-(4-iodophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
4-N-(4-iodophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 340.17 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-iodophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80763247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).