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

C12H13IN4 — CID 80762709

IUPAC4-N-(2-iodophenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(Nc2ccccc2I)n1
InChIInChI=1S/C12H13IN4/c1-8-7-11(17-12(14-2)15-8)16-10-6-4-3-5-9(10)13/h3-7H,1-2H3,(H2,14,15,16,17)
InChIKeyKDWXQIPSMRIDKN-UHFFFAOYSA-N
MW340.17 g/mol
LogP3.17
Rot. Bonds3

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

4-N-(2-iodophenyl)-2-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 80762709) has the molecular formula C12H13IN4 and a molecular weight of 340.17 g/mol. Its IUPAC name is 4-N-(2-iodophenyl)-2-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-iodophenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID80762709
Molecular FormulaC12H13IN4
Molecular Weight340.17 g/mol
Exact Mass340.02
IUPAC Name4-N-(2-iodophenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(Nc2ccccc2I)n1
InChIInChI=1S/C12H13IN4/c1-8-7-11(17-12(14-2)15-8)16-10-6-4-3-5-9(10)13/h3-7H,1-2H3,(H2,14,15,16,17)
InChIKeyKDWXQIPSMRIDKN-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

2-N,6-dimethyl-4-N-[2-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 80768669
6-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine;hydrochloride
CID 67948246
4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80763536
4-N-(3,4-dimethylphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80754824
2-[[2-(2-cyanoanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112932302
2-N-(2-iodophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80763052
4-N-(2-fluorophenyl)-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112927092
4-N-(2-bromophenyl)-2-N-tert-butyl-6-methylpyrimidine-2,4-diamine
CID 112924833
2-N-tert-butyl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112924784
2-N,6-dimethyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine
CID 80850538
2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 80760167
2-N-(2-iodophenyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80737478

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-iodophenyl)-2-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-iodophenyl)-2-N,6-dimethylpyrimidine-2,4-diamine (CID 80762709) is 4-N-(2-iodophenyl)-2-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-iodophenyl)-2-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-iodophenyl)-2-N,6-dimethylpyrimidine-2,4-diamine is CNc1nc(C)cc(Nc2ccccc2I)n1.
What is the InChIKey of 4-N-(2-iodophenyl)-2-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is KDWXQIPSMRIDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN4/c1-8-7-11(17-12(14-2)15-8)16-10-6-4-3-5-9(10)13/h3-7H,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-N-(2-iodophenyl)-2-N,6-dimethylpyrimidine-2,4-diamine?
4-N-(2-iodophenyl)-2-N,6-dimethylpyrimidine-2,4-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-(2-iodophenyl)-2-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80762709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).