N-(2,6-dimethylphenyl)-5-iodopyrimidin-4-amine

C12H12IN3 — CID 66342395

IUPACN-(2,6-dimethylphenyl)-5-iodopyrimidin-4-amine
SMILESCc1cccc(C)c1Nc1ncncc1I
InChIInChI=1S/C12H12IN3/c1-8-4-3-5-9(2)11(8)16-12-10(13)6-14-7-15-12/h3-7H,1-2H3,(H,14,15,16)
InChIKeyCXKFPOSUZZVYQH-UHFFFAOYSA-N
MW325.15 g/mol
LogP3.44
Rot. Bonds2

About N-(2,6-dimethylphenyl)-5-iodopyrimidin-4-amine

N-(2,6-dimethylphenyl)-5-iodopyrimidin-4-amine (PubChem CID 66342395) has the molecular formula C12H12IN3 and a molecular weight of 325.15 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-5-iodopyrimidin-4-amine
PubChem CID66342395
Molecular FormulaC12H12IN3
Molecular Weight325.15 g/mol
Exact Mass325.01
IUPAC NameN-(2,6-dimethylphenyl)-5-iodopyrimidin-4-amine
SMILESCc1cccc(C)c1Nc1ncncc1I
InChIInChI=1S/C12H12IN3/c1-8-4-3-5-9(2)11(8)16-12-10(13)6-14-7-15-12/h3-7H,1-2H3,(H,14,15,16)
InChIKeyCXKFPOSUZZVYQH-UHFFFAOYSA-N
XLogP3.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine
CID 66342179
N-(4-bromo-2,6-dimethylphenyl)-5-iodopyrimidin-4-amine
CID 66318194
5-bromo-N-(2,6-dimethylphenyl)pyrimidin-4-amine
CID 66342196
N-(4-bromo-3-methylphenyl)-5-iodopyrimidin-4-amine
CID 66340130
N-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine
CID 66341231
N-(4-bromophenyl)-5-iodopyrimidin-4-amine
CID 66339928
5-iodo-N-(4-methoxyphenyl)pyrimidin-4-amine
CID 66341469
5-iodo-N-[2-(methoxymethyl)phenyl]pyrimidin-4-amine
CID 66320856
N-(3-fluoro-5-methylphenyl)-5-iodopyrimidin-4-amine
CID 79046105
5-iodo-N-(3-phenoxyphenyl)pyrimidin-4-amine
CID 66319058
5-iodo-N-(4-phenoxyphenyl)pyrimidin-4-amine
CID 66341024
N-[(3-amino-2-methylphenyl)methyl]-5-iodopyrimidin-4-amine
CID 103110845

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-5-iodopyrimidin-4-amine?
The IUPAC name of N-(2,6-dimethylphenyl)-5-iodopyrimidin-4-amine (CID 66342395) is N-(2,6-dimethylphenyl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-5-iodopyrimidin-4-amine?
The canonical SMILES for N-(2,6-dimethylphenyl)-5-iodopyrimidin-4-amine is Cc1cccc(C)c1Nc1ncncc1I.
What is the InChIKey of N-(2,6-dimethylphenyl)-5-iodopyrimidin-4-amine?
The InChIKey is CXKFPOSUZZVYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN3/c1-8-4-3-5-9(2)11(8)16-12-10(13)6-14-7-15-12/h3-7H,1-2H3,(H,14,15,16).
What are the key properties of N-(2,6-dimethylphenyl)-5-iodopyrimidin-4-amine?
N-(2,6-dimethylphenyl)-5-iodopyrimidin-4-amine has a molecular weight of 325.15 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66342395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).