5-iodo-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine

C14H16IN3 — CID 66342179

IUPAC5-iodo-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCc1cccc(C(C)C)c1Nc1ncncc1I
InChIInChI=1S/C14H16IN3/c1-9(2)11-6-4-5-10(3)13(11)18-14-12(15)7-16-8-17-14/h4-9H,1-3H3,(H,16,17,18)
InChIKeyHRQBMAOBALVUFB-UHFFFAOYSA-N
MW353.21 g/mol
LogP4.26
Rot. Bonds3

About 5-iodo-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine

5-iodo-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine (PubChem CID 66342179) has the molecular formula C14H16IN3 and a molecular weight of 353.21 g/mol. Its IUPAC name is 5-iodo-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine
PubChem CID66342179
Molecular FormulaC14H16IN3
Molecular Weight353.21 g/mol
Exact Mass353.04
IUPAC Name5-iodo-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCc1cccc(C(C)C)c1Nc1ncncc1I
InChIInChI=1S/C14H16IN3/c1-9(2)11-6-4-5-10(3)13(11)18-14-12(15)7-16-8-17-14/h4-9H,1-3H3,(H,16,17,18)
InChIKeyHRQBMAOBALVUFB-UHFFFAOYSA-N
XLogP4.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-iodo-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,6-dimethylphenyl)-5-iodopyrimidin-4-amine
CID 66342395
N-(4-bromo-2,6-dimethylphenyl)-5-iodopyrimidin-4-amine
CID 66318194
5-bromo-N-(2,6-dimethylphenyl)pyrimidin-4-amine
CID 66342196
N-[1-(2-aminophenyl)ethyl]-5-iodopyrimidin-4-amine
CID 66318831
5-bromo-N-(2-methyl-6-propan-2-ylphenyl)pyridin-2-amine
CID 63463659
5-chloro-N-(2-methyl-6-propan-2-ylphenyl)pyridin-2-amine
CID 66234324
N-(4-bromo-3-methylphenyl)-5-iodopyrimidin-4-amine
CID 66340130
4-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,4-diamine
CID 82292814
6-N-(3-methoxypropyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112856928
N-(2-methyl-6-propan-2-ylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 24804885
N-(4-bromophenyl)-5-iodopyrimidin-4-amine
CID 66339928
3-[(5-iodopyrimidin-4-yl)amino]butan-2-ol
CID 131123319

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine (CID 66342179) is 5-iodo-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine is Cc1cccc(C(C)C)c1Nc1ncncc1I.
What is the InChIKey of 5-iodo-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine?
The InChIKey is HRQBMAOBALVUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3/c1-9(2)11-6-4-5-10(3)13(11)18-14-12(15)7-16-8-17-14/h4-9H,1-3H3,(H,16,17,18).
What are the key properties of 5-iodo-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine?
5-iodo-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine has a molecular weight of 353.21 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 66342179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).