2-(2,5-dimethylphenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine

C14H16IN3 — CID 66295351

IUPAC2-(2,5-dimethylphenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(-c2cc(C)ccc2C)nc(C)c1I
InChIInChI=1S/C14H16IN3/c1-8-5-6-9(2)11(7-8)13-17-10(3)12(15)14(16-4)18-13/h5-7H,1-4H3,(H,16,17,18)
InChIKeyXRGBKLASZQZTND-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.72
Rot. Bonds2

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

2-(2,5-dimethylphenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine (PubChem CID 66295351) has the molecular formula C14H16IN3 and a molecular weight of 353.21 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine
PubChem CID66295351
Molecular FormulaC14H16IN3
Molecular Weight353.21 g/mol
Exact Mass353.04
IUPAC Name2-(2,5-dimethylphenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(-c2cc(C)ccc2C)nc(C)c1I
InChIInChI=1S/C14H16IN3/c1-8-5-6-9(2)11(7-8)13-17-10(3)12(15)14(16-4)18-13/h5-7H,1-4H3,(H,16,17,18)
InChIKeyXRGBKLASZQZTND-UHFFFAOYSA-N
XLogP3.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.72
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

2-(2,5-dimethylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 66297674
2-(2,5-dimethylthiophen-3-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66296123
2-(2,5-dimethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62203821
2-(2-bromophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66305711
5-bromo-2-(2,4-dimethylphenyl)-N,6-dimethylpyrimidin-4-amine
CID 66302387
5-bromo-2-(5-fluoro-2-methylphenyl)-N,6-dimethylpyrimidin-4-amine
CID 66304873
5-iodo-N,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine
CID 66297086
2-(2,5-dimethylphenyl)-N,6-dimethylpyrimidin-4-amine
CID 62190972
2-(5-fluoro-2-methylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 66305737
5-iodo-N,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 66295542
2-(3,4-difluorophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66304716
2-(5-chloro-2-methylphenyl)-N,6-dimethylquinazolin-4-amine
CID 82875208

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(2,5-dimethylphenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine (CID 66295351) is 2-(2,5-dimethylphenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine is CNc1nc(-c2cc(C)ccc2C)nc(C)c1I.
What is the InChIKey of 2-(2,5-dimethylphenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine?
The InChIKey is XRGBKLASZQZTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3/c1-8-5-6-9(2)11(7-8)13-17-10(3)12(15)14(16-4)18-13/h5-7H,1-4H3,(H,16,17,18).
What are the key properties of 2-(2,5-dimethylphenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine?
2-(2,5-dimethylphenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine has a molecular weight of 353.21 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 66295351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).