2-(2-chlorophenyl)-N-ethyl-5-iodopyrimidin-4-amine

C12H11ClIN3 — CID 66303127

IUPAC2-(2-chlorophenyl)-N-ethyl-5-iodopyrimidin-4-amine
SMILESCCNc1nc(-c2ccccc2Cl)ncc1I
InChIInChI=1S/C12H11ClIN3/c1-2-15-12-10(14)7-16-11(17-12)8-5-3-4-6-9(8)13/h3-7H,2H2,1H3,(H,15,16,17)
InChIKeyRYQZTSULDDDGHL-UHFFFAOYSA-N
MW359.60 g/mol
LogP3.83
Rot. Bonds3

About 2-(2-chlorophenyl)-N-ethyl-5-iodopyrimidin-4-amine

2-(2-chlorophenyl)-N-ethyl-5-iodopyrimidin-4-amine (PubChem CID 66303127) has the molecular formula C12H11ClIN3 and a molecular weight of 359.60 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-ethyl-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-ethyl-5-iodopyrimidin-4-amine
PubChem CID66303127
Molecular FormulaC12H11ClIN3
Molecular Weight359.60 g/mol
Exact Mass358.97
IUPAC Name2-(2-chlorophenyl)-N-ethyl-5-iodopyrimidin-4-amine
SMILESCCNc1nc(-c2ccccc2Cl)ncc1I
InChIInChI=1S/C12H11ClIN3/c1-2-15-12-10(14)7-16-11(17-12)8-5-3-4-6-9(8)13/h3-7H,2H2,1H3,(H,15,16,17)
InChIKeyRYQZTSULDDDGHL-UHFFFAOYSA-N
XLogP3.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.60
LogP ≤ 53.83
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-(3-chloro-4-methoxyphenyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66295319
N-ethyl-2-(4-ethylphenyl)-5-iodopyrimidin-4-amine
CID 66302305
N-ethyl-5-iodo-2-(4-methoxyphenyl)pyrimidin-4-amine
CID 66302094
5-bromo-2-(2-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66306558
2-(1,3-dimethylpyrazol-4-yl)-N-ethyl-5-iodopyrimidin-4-amine
CID 83094396
2-(3,5-dimethylphenyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66295896
5-bromo-2-(2-chlorophenyl)-N-methylpyrimidin-4-amine
CID 66301431
2-[2-(difluoromethoxy)phenyl]-5-iodo-N-propylpyrimidin-4-amine
CID 66296298
5-iodo-2-phenyl-N-propylpyrimidin-4-amine
CID 66303336
2-(2-bromophenyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66301471
5-bromo-2-(2-chlorophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 66300377
5-bromo-2-(2-chlorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
CID 66303166

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-ethyl-5-iodopyrimidin-4-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-ethyl-5-iodopyrimidin-4-amine (CID 66303127) is 2-(2-chlorophenyl)-N-ethyl-5-iodopyrimidin-4-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-ethyl-5-iodopyrimidin-4-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-ethyl-5-iodopyrimidin-4-amine is CCNc1nc(-c2ccccc2Cl)ncc1I.
What is the InChIKey of 2-(2-chlorophenyl)-N-ethyl-5-iodopyrimidin-4-amine?
The InChIKey is RYQZTSULDDDGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClIN3/c1-2-15-12-10(14)7-16-11(17-12)8-5-3-4-6-9(8)13/h3-7H,2H2,1H3,(H,15,16,17).
What are the key properties of 2-(2-chlorophenyl)-N-ethyl-5-iodopyrimidin-4-amine?
2-(2-chlorophenyl)-N-ethyl-5-iodopyrimidin-4-amine has a molecular weight of 359.60 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-ethyl-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66303127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).