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

C12H12IN3 — CID 66303498

IUPAC5-iodo-2-(2-phenylethyl)pyrimidin-4-amine
SMILESNc1nc(CCc2ccccc2)ncc1I
InChIInChI=1S/C12H12IN3/c13-10-8-15-11(16-12(10)14)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,14,15,16)
InChIKeySNRGBPFYQADUQD-UHFFFAOYSA-N
MW325.15 g/mol
LogP2.45
Rot. Bonds3

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

5-iodo-2-(2-phenylethyl)pyrimidin-4-amine (PubChem CID 66303498) has the molecular formula C12H12IN3 and a molecular weight of 325.15 g/mol. Its IUPAC name is 5-iodo-2-(2-phenylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-(2-phenylethyl)pyrimidin-4-amine
PubChem CID66303498
Molecular FormulaC12H12IN3
Molecular Weight325.15 g/mol
Exact Mass325.01
IUPAC Name5-iodo-2-(2-phenylethyl)pyrimidin-4-amine
SMILESNc1nc(CCc2ccccc2)ncc1I
InChIInChI=1S/C12H12IN3/c13-10-8-15-11(16-12(10)14)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,14,15,16)
InChIKeySNRGBPFYQADUQD-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

5-methyl-2-(2-phenylethyl)pyrimidin-4-amine
CID 11608193
N-ethyl-5-iodo-2-(2-phenylethyl)pyrimidin-4-amine
CID 66304134
4-phenyl-2-(2-phenylethyl)pyrimidine
CID 150687160
2-(ethoxymethyl)-5-iodopyrimidin-4-amine
CID 66303101
5-bromo-6-ethyl-2-(2-phenylethyl)pyrimidin-4-amine
CID 66300793
5-iodo-2-(3-phenylpropyl)pyrimidine
CID 163930375
6-iodo-5-(2-phenylethyl)pyrimidin-4-amine
CID 11001896
N,N-dimethyl-4-(2-phenylethyl)-1,3,5-triazin-2-amine
CID 150339127
benzene;2-phenylethylbenzene
CID 18982764
5-(chloromethyl)-4-ethyl-2-(2-phenylethyl)pyrimidine
CID 114205393
2-benzyl-5-iodo-N-methylpyrimidin-4-amine
CID 66304334
2-(2-phenylethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009060

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(2-phenylethyl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-2-(2-phenylethyl)pyrimidin-4-amine (CID 66303498) is 5-iodo-2-(2-phenylethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-(2-phenylethyl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-(2-phenylethyl)pyrimidin-4-amine is Nc1nc(CCc2ccccc2)ncc1I.
What is the InChIKey of 5-iodo-2-(2-phenylethyl)pyrimidin-4-amine?
The InChIKey is SNRGBPFYQADUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN3/c13-10-8-15-11(16-12(10)14)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,14,15,16).
What are the key properties of 5-iodo-2-(2-phenylethyl)pyrimidin-4-amine?
5-iodo-2-(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 5-iodo-2-(2-phenylethyl)pyrimidin-4-amine is sourced from PubChem (CID 66303498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).