N-[1-(4-ethylphenyl)ethyl]-5-iodopyrimidin-4-amine

C14H16IN3 — CID 66342777

IUPACN-[1-(4-ethylphenyl)ethyl]-5-iodopyrimidin-4-amine
SMILESCCc1ccc(C(C)Nc2ncncc2I)cc1
InChIInChI=1S/C14H16IN3/c1-3-11-4-6-12(7-5-11)10(2)18-14-13(15)8-16-9-17-14/h4-10H,3H2,1-2H3,(H,16,17,18)
InChIKeyMDGNRGBIQWOEAG-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.82
Rot. Bonds4

About N-[1-(4-ethylphenyl)ethyl]-5-iodopyrimidin-4-amine

N-[1-(4-ethylphenyl)ethyl]-5-iodopyrimidin-4-amine (PubChem CID 66342777) has the molecular formula C14H16IN3 and a molecular weight of 353.21 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-5-iodopyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-5-iodopyrimidin-4-amine
PubChem CID66342777
Molecular FormulaC14H16IN3
Molecular Weight353.21 g/mol
Exact Mass353.04
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-5-iodopyrimidin-4-amine
SMILESCCc1ccc(C(C)Nc2ncncc2I)cc1
InChIInChI=1S/C14H16IN3/c1-3-11-4-6-12(7-5-11)10(2)18-14-13(15)8-16-9-17-14/h4-10H,3H2,1-2H3,(H,16,17,18)
InChIKeyMDGNRGBIQWOEAG-UHFFFAOYSA-N
XLogP3.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-[1-(4-ethylphenyl)ethyl]-5-iodopyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-fluorophenyl)ethyl]-5-iodopyrimidin-4-amine
CID 66342562
6-chloro-5-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine
CID 106193524
5-iodo-N-(3-methylpentan-2-yl)pyrimidin-4-amine
CID 66342786
N-[1-(2-aminophenyl)ethyl]-5-iodopyrimidin-4-amine
CID 66318831
N-[1-(4-ethylphenyl)ethyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 66327874
N-[1-(4-ethylphenyl)ethyl]-3,5-difluoropyridin-2-amine
CID 112675669
4-[1-(4-ethylphenyl)ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136974375
6-chloro-N-[1-(4-ethylphenyl)ethyl]-5-propylpyrimidin-4-amine
CID 106193555
N-[1-(4-ethylphenyl)ethyl]-2-iodoaniline
CID 43124709
3-[(5-iodopyrimidin-4-yl)amino]butan-2-ol
CID 131123319
N-(4-chlorobutan-2-yl)-5-iodopyrimidin-4-amine
CID 83187749
3-chloro-N-[1-(4-ethylphenyl)ethyl]pyridin-2-amine
CID 60701697

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-5-iodopyrimidin-4-amine?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-5-iodopyrimidin-4-amine (CID 66342777) is N-[1-(4-ethylphenyl)ethyl]-5-iodopyrimidin-4-amine.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-5-iodopyrimidin-4-amine?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-5-iodopyrimidin-4-amine is CCc1ccc(C(C)Nc2ncncc2I)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-5-iodopyrimidin-4-amine?
The InChIKey is MDGNRGBIQWOEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3/c1-3-11-4-6-12(7-5-11)10(2)18-14-13(15)8-16-9-17-14/h4-10H,3H2,1-2H3,(H,16,17,18).
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-5-iodopyrimidin-4-amine?
N-[1-(4-ethylphenyl)ethyl]-5-iodopyrimidin-4-amine has a molecular weight of 353.21 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66342777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).