6-ethyl-5-iodo-N-methyl-2-quinolin-8-ylpyrimidin-4-amine

C16H15IN4 — CID 66297541

IUPAC6-ethyl-5-iodo-N-methyl-2-quinolin-8-ylpyrimidin-4-amine
SMILESCCc1nc(-c2cccc3cccnc23)nc(NC)c1I
InChIInChI=1S/C16H15IN4/c1-3-12-13(17)16(18-2)21-15(20-12)11-8-4-6-10-7-5-9-19-14(10)11/h4-9H,3H2,1-2H3,(H,18,20,21)
InChIKeyHJTIXEOITPHBJZ-UHFFFAOYSA-N
MW390.23 g/mol
LogP3.90
Rot. Bonds3

About 6-ethyl-5-iodo-N-methyl-2-quinolin-8-ylpyrimidin-4-amine

6-ethyl-5-iodo-N-methyl-2-quinolin-8-ylpyrimidin-4-amine (PubChem CID 66297541) has the molecular formula C16H15IN4 and a molecular weight of 390.23 g/mol. Its IUPAC name is 6-ethyl-5-iodo-N-methyl-2-quinolin-8-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-iodo-N-methyl-2-quinolin-8-ylpyrimidin-4-amine
PubChem CID66297541
Molecular FormulaC16H15IN4
Molecular Weight390.23 g/mol
Exact Mass390.03
IUPAC Name6-ethyl-5-iodo-N-methyl-2-quinolin-8-ylpyrimidin-4-amine
SMILESCCc1nc(-c2cccc3cccnc23)nc(NC)c1I
InChIInChI=1S/C16H15IN4/c1-3-12-13(17)16(18-2)21-15(20-12)11-8-4-6-10-7-5-9-19-14(10)11/h4-9H,3H2,1-2H3,(H,18,20,21)
InChIKeyHJTIXEOITPHBJZ-UHFFFAOYSA-N
XLogP3.90
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.23
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-ethyl-5-iodo-N-methyl-2-quinolin-8-ylpyrimidin-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

8-(4-chloro-6-ethyl-5-iodopyrimidin-2-yl)quinoline
CID 66311874
6-ethyl-5-iodo-N-methyl-2-naphthalen-1-ylpyrimidin-4-amine
CID 66298495
6-ethyl-2-(2-ethylphenyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66297157
6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]-N-methylpyrimidin-4-amine
CID 66295420
2-N,2-N,4-N-trimethyl-6-quinolin-8-yl-1,3,5-triazine-2,4-diamine
CID 81227653
2-(2,5-dimethylthiophen-3-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
CID 66297540
6-ethyl-5-iodo-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 66301253
2-(2-bromophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66304987
2-(3-chloro-2-fluorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 114488722
6-ethyl-5-iodo-2-(6-methoxy-3-pyridinyl)-N-methylpyrimidin-4-amine
CID 114938393
2-(2-bromophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66301068
6-ethyl-5-iodo-N,2-dimethylpyrimidin-4-amine
CID 66300257

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-iodo-N-methyl-2-quinolin-8-ylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-iodo-N-methyl-2-quinolin-8-ylpyrimidin-4-amine (CID 66297541) is 6-ethyl-5-iodo-N-methyl-2-quinolin-8-ylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-iodo-N-methyl-2-quinolin-8-ylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-iodo-N-methyl-2-quinolin-8-ylpyrimidin-4-amine is CCc1nc(-c2cccc3cccnc23)nc(NC)c1I.
What is the InChIKey of 6-ethyl-5-iodo-N-methyl-2-quinolin-8-ylpyrimidin-4-amine?
The InChIKey is HJTIXEOITPHBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN4/c1-3-12-13(17)16(18-2)21-15(20-12)11-8-4-6-10-7-5-9-19-14(10)11/h4-9H,3H2,1-2H3,(H,18,20,21).
What are the key properties of 6-ethyl-5-iodo-N-methyl-2-quinolin-8-ylpyrimidin-4-amine?
6-ethyl-5-iodo-N-methyl-2-quinolin-8-ylpyrimidin-4-amine has a molecular weight of 390.23 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-iodo-N-methyl-2-quinolin-8-ylpyrimidin-4-amine is sourced from PubChem (CID 66297541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).