6-iodo-5-(2-phenylethyl)pyrimidin-4-amine

C12H12IN3 — CID 11001896

IUPAC6-iodo-5-(2-phenylethyl)pyrimidin-4-amine
SMILESNc1ncnc(I)c1CCc1ccccc1
InChIInChI=1S/C12H12IN3/c13-11-10(12(14)16-8-15-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,14,15,16)
InChIKeyILGYNENQLSKBJT-UHFFFAOYSA-N
MW325.15 g/mol
LogP2.45
Rot. Bonds3

About 6-iodo-5-(2-phenylethyl)pyrimidin-4-amine

6-iodo-5-(2-phenylethyl)pyrimidin-4-amine (PubChem CID 11001896) has the molecular formula C12H12IN3 and a molecular weight of 325.15 g/mol. Its IUPAC name is 6-iodo-5-(2-phenylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-iodo-5-(2-phenylethyl)pyrimidin-4-amine
PubChem CID11001896
Molecular FormulaC12H12IN3
Molecular Weight325.15 g/mol
Exact Mass325.01
IUPAC Name6-iodo-5-(2-phenylethyl)pyrimidin-4-amine
SMILESNc1ncnc(I)c1CCc1ccccc1
InChIInChI=1S/C12H12IN3/c13-11-10(12(14)16-8-15-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,14,15,16)
InChIKeyILGYNENQLSKBJT-UHFFFAOYSA-N
XLogP2.45
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 52.45
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

3-(2-phenylethyl)pyridine-2,4-diamine
CID 158167465
5-iodo-2-(2-phenylethyl)pyrimidin-4-amine
CID 66303498
benzene;2-phenylethylbenzene
CID 18982764
4-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19137069
6-benzylsulfanyl-5-propylpyrimidin-4-amine
CID 80887991
hafnium;2-phenylethylbenzene
CID 173109801
6-benzylsulfanyl-5-ethylpyrimidin-4-amine
CID 80884151
alumane;2-phenylethylbenzene;hydrobromide
CID 173446278
8-(4-phenylbutyl)-7H-purin-6-amine
CID 4019685
5-methyl-2-(2-phenylethyl)pyrimidin-4-amine
CID 11608193
ethane;methane;2-phenylethylbenzene
CID 158652330
3,5-bis(2-phenylethyl)quinoline-2,4-diamine
CID 19094054

Frequently Asked Questions

What is the IUPAC name of 6-iodo-5-(2-phenylethyl)pyrimidin-4-amine?
The IUPAC name of 6-iodo-5-(2-phenylethyl)pyrimidin-4-amine (CID 11001896) is 6-iodo-5-(2-phenylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-iodo-5-(2-phenylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-iodo-5-(2-phenylethyl)pyrimidin-4-amine is Nc1ncnc(I)c1CCc1ccccc1.
What is the InChIKey of 6-iodo-5-(2-phenylethyl)pyrimidin-4-amine?
The InChIKey is ILGYNENQLSKBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN3/c13-11-10(12(14)16-8-15-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,14,15,16).
What are the key properties of 6-iodo-5-(2-phenylethyl)pyrimidin-4-amine?
6-iodo-5-(2-phenylethyl)pyrimidin-4-amine has a molecular weight of 325.15 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-5-(2-phenylethyl)pyrimidin-4-amine is sourced from PubChem (CID 11001896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).