5-iodo-2-phenyl-6-propan-2-ylpyrimidin-4-amine

C13H14IN3 — CID 66300126

IUPAC5-iodo-2-phenyl-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(-c2ccccc2)nc(N)c1I
InChIInChI=1S/C13H14IN3/c1-8(2)11-10(14)12(15)17-13(16-11)9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyAJIPKQGLTUINNA-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.45
Rot. Bonds2

About 5-iodo-2-phenyl-6-propan-2-ylpyrimidin-4-amine

5-iodo-2-phenyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 66300126) has the molecular formula C13H14IN3 and a molecular weight of 339.18 g/mol. Its IUPAC name is 5-iodo-2-phenyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-phenyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID66300126
Molecular FormulaC13H14IN3
Molecular Weight339.18 g/mol
Exact Mass339.02
IUPAC Name5-iodo-2-phenyl-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(-c2ccccc2)nc(N)c1I
InChIInChI=1S/C13H14IN3/c1-8(2)11-10(14)12(15)17-13(16-11)9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyAJIPKQGLTUINNA-UHFFFAOYSA-N
XLogP3.45
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.45
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-bromo-2-phenyl-6-propan-2-ylpyrimidin-4-amine
CID 66299701
5-iodo-6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine
CID 66300718
5-iodo-6-methyl-2-phenylpyrimidin-4-amine
CID 12795372
5-iodo-6-propan-2-yl-2-quinolin-6-ylpyrimidin-4-amine
CID 66300911
2-(3-fluoro-4-methylphenyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66300521
2-imidazo[1,2-a]pyridin-2-yl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66297754
2-(2,5-dimethylphenyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66296793
6-cyclopropyl-5-iodo-2-phenylpyrimidin-4-amine
CID 66302561
2-(4-chlorophenyl)-5-iodo-6-phenylpyrimidin-4-amine
CID 66294114
4-phenyl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 63868472
2-(3,5-dichloro-2-pyridinyl)-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 79780014
5-methyl-2-phenyl-4-propan-2-ylpyrimidine
CID 177268699

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-phenyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-iodo-2-phenyl-6-propan-2-ylpyrimidin-4-amine (CID 66300126) is 5-iodo-2-phenyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-phenyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-phenyl-6-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(-c2ccccc2)nc(N)c1I.
What is the InChIKey of 5-iodo-2-phenyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is AJIPKQGLTUINNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14IN3/c1-8(2)11-10(14)12(15)17-13(16-11)9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,15,16,17).
What are the key properties of 5-iodo-2-phenyl-6-propan-2-ylpyrimidin-4-amine?
5-iodo-2-phenyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 339.18 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-phenyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66300126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).