6-ethyl-2-(2-ethylphenyl)-5-iodopyrimidin-4-amine

C14H16IN3 — CID 66298113

IUPAC6-ethyl-2-(2-ethylphenyl)-5-iodopyrimidin-4-amine
SMILESCCc1ccccc1-c1nc(N)c(I)c(CC)n1
InChIInChI=1S/C14H16IN3/c1-3-9-7-5-6-8-10(9)14-17-11(4-2)12(15)13(16)18-14/h5-8H,3-4H2,1-2H3,(H2,16,17,18)
InChIKeyPKGYQCXWDVAQSE-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.46
Rot. Bonds3

About 6-ethyl-2-(2-ethylphenyl)-5-iodopyrimidin-4-amine

6-ethyl-2-(2-ethylphenyl)-5-iodopyrimidin-4-amine (PubChem CID 66298113) has the molecular formula C14H16IN3 and a molecular weight of 353.21 g/mol. Its IUPAC name is 6-ethyl-2-(2-ethylphenyl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-(2-ethylphenyl)-5-iodopyrimidin-4-amine
PubChem CID66298113
Molecular FormulaC14H16IN3
Molecular Weight353.21 g/mol
Exact Mass353.04
IUPAC Name6-ethyl-2-(2-ethylphenyl)-5-iodopyrimidin-4-amine
SMILESCCc1ccccc1-c1nc(N)c(I)c(CC)n1
InChIInChI=1S/C14H16IN3/c1-3-9-7-5-6-8-10(9)14-17-11(4-2)12(15)13(16)18-14/h5-8H,3-4H2,1-2H3,(H2,16,17,18)
InChIKeyPKGYQCXWDVAQSE-UHFFFAOYSA-N
XLogP3.46
TPSA51.80 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 ≤ 53.46
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

6-ethyl-2-(2-ethylphenyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66297157
5-iodo-2-(2-methylphenyl)-6-propylpyrimidin-4-amine
CID 66307571
6-ethyl-5-iodo-2-(4-methylphenyl)pyrimidin-4-amine
CID 66298872
2-(2-bromophenyl)-5-iodo-6-propylpyrimidin-4-amine
CID 66307167
2-(2-chlorophenyl)-5-iodo-6-propylpyrimidin-4-amine
CID 66307572
[6-ethyl-2-(2-ethylphenyl)-5-methylpyrimidin-4-yl]hydrazine
CID 55221887
2-(2-bromo-3,4-difluorophenyl)-6-ethyl-5-iodopyrimidin-4-amine
CID 107539759
4-chloro-6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]pyrimidine
CID 66313429
6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]-N-methylpyrimidin-4-amine
CID 66295420
2-[2-(difluoromethoxy)phenyl]-5-iodo-6-propylpyrimidin-4-amine
CID 66297684
6-ethyl-5-iodo-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 66295603
4,6-dichloro-2-(2-ethylphenyl)pyrimidine
CID 63612271

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(2-ethylphenyl)-5-iodopyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-(2-ethylphenyl)-5-iodopyrimidin-4-amine (CID 66298113) is 6-ethyl-2-(2-ethylphenyl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-(2-ethylphenyl)-5-iodopyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-(2-ethylphenyl)-5-iodopyrimidin-4-amine is CCc1ccccc1-c1nc(N)c(I)c(CC)n1.
What is the InChIKey of 6-ethyl-2-(2-ethylphenyl)-5-iodopyrimidin-4-amine?
The InChIKey is PKGYQCXWDVAQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3/c1-3-9-7-5-6-8-10(9)14-17-11(4-2)12(15)13(16)18-14/h5-8H,3-4H2,1-2H3,(H2,16,17,18).
What are the key properties of 6-ethyl-2-(2-ethylphenyl)-5-iodopyrimidin-4-amine?
6-ethyl-2-(2-ethylphenyl)-5-iodopyrimidin-4-amine has a molecular weight of 353.21 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(2-ethylphenyl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66298113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).