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

C12H12IN3 — CID 116648838

IUPACN-(2,4-dimethylphenyl)-5-iodopyrimidin-2-amine
SMILESCc1ccc(Nc2ncc(I)cn2)c(C)c1
InChIInChI=1S/C12H12IN3/c1-8-3-4-11(9(2)5-8)16-12-14-6-10(13)7-15-12/h3-7H,1-2H3,(H,14,15,16)
InChIKeyQZBCZEAIMZTLOX-UHFFFAOYSA-N
MW325.15 g/mol
LogP3.44
Rot. Bonds2

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

N-(2,4-dimethylphenyl)-5-iodopyrimidin-2-amine (PubChem CID 116648838) has the molecular formula C12H12IN3 and a molecular weight of 325.15 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-5-iodopyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-5-iodopyrimidin-2-amine
PubChem CID116648838
Molecular FormulaC12H12IN3
Molecular Weight325.15 g/mol
Exact Mass325.01
IUPAC NameN-(2,4-dimethylphenyl)-5-iodopyrimidin-2-amine
SMILESCc1ccc(Nc2ncc(I)cn2)c(C)c1
InChIInChI=1S/C12H12IN3/c1-8-3-4-11(9(2)5-8)16-12-14-6-10(13)7-15-12/h3-7H,1-2H3,(H,14,15,16)
InChIKeyQZBCZEAIMZTLOX-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-(4-methoxy-2-methylphenyl)pyrimidin-2-amine
CID 116648971
N-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-2-amine
CID 116648850
2-N,4-N-bis(2,4-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 767373
4-N-(2,4-dimethylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80760884
N-(2,6-difluorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266523
2-(2,4-dichloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266433
N-(2,4-dimethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109266385
5-bromo-N-(2-chloro-4-methylphenyl)pyrimidin-2-amine
CID 55252301
2-(2,6-dimethylanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266373
N-(3,4-difluorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266524
3-methyl-4-[(5-methylpyrimidin-2-yl)amino]benzamide
CID 153321752
2-N-(4-chloro-2-methylphenyl)pyrimidine-2,5-diamine
CID 82290977

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-5-iodopyrimidin-2-amine?
The IUPAC name of N-(2,4-dimethylphenyl)-5-iodopyrimidin-2-amine (CID 116648838) is N-(2,4-dimethylphenyl)-5-iodopyrimidin-2-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-5-iodopyrimidin-2-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)-5-iodopyrimidin-2-amine is Cc1ccc(Nc2ncc(I)cn2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-5-iodopyrimidin-2-amine?
The InChIKey is QZBCZEAIMZTLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN3/c1-8-3-4-11(9(2)5-8)16-12-14-6-10(13)7-15-12/h3-7H,1-2H3,(H,14,15,16).
What are the key properties of N-(2,4-dimethylphenyl)-5-iodopyrimidin-2-amine?
N-(2,4-dimethylphenyl)-5-iodopyrimidin-2-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-(2,4-dimethylphenyl)-5-iodopyrimidin-2-amine is sourced from PubChem (CID 116648838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).