5-iodo-6-propan-2-yl-2-quinolin-6-ylpyrimidin-4-amine

C16H15IN4 — CID 66300911

IUPAC5-iodo-6-propan-2-yl-2-quinolin-6-ylpyrimidin-4-amine
SMILESCC(C)c1nc(-c2ccc3ncccc3c2)nc(N)c1I
InChIInChI=1S/C16H15IN4/c1-9(2)14-13(17)15(18)21-16(20-14)11-5-6-12-10(8-11)4-3-7-19-12/h3-9H,1-2H3,(H2,18,20,21)
InChIKeyQUPWIRSWFPXLIN-UHFFFAOYSA-N
MW390.23 g/mol
LogP4.00
Rot. Bonds2

About 5-iodo-6-propan-2-yl-2-quinolin-6-ylpyrimidin-4-amine

5-iodo-6-propan-2-yl-2-quinolin-6-ylpyrimidin-4-amine (PubChem CID 66300911) has the molecular formula C16H15IN4 and a molecular weight of 390.23 g/mol. Its IUPAC name is 5-iodo-6-propan-2-yl-2-quinolin-6-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-propan-2-yl-2-quinolin-6-ylpyrimidin-4-amine
PubChem CID66300911
Molecular FormulaC16H15IN4
Molecular Weight390.23 g/mol
Exact Mass390.03
IUPAC Name5-iodo-6-propan-2-yl-2-quinolin-6-ylpyrimidin-4-amine
SMILESCC(C)c1nc(-c2ccc3ncccc3c2)nc(N)c1I
InChIInChI=1S/C16H15IN4/c1-9(2)14-13(17)15(18)21-16(20-14)11-5-6-12-10(8-11)4-3-7-19-12/h3-9H,1-2H3,(H2,18,20,21)
InChIKeyQUPWIRSWFPXLIN-UHFFFAOYSA-N
XLogP4.00
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.23
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-iodo-6-propan-2-yl-2-quinolin-6-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

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-propan-2-yl-2-quinolin-6-ylpyrimidin-4-amine?
The IUPAC name of 5-iodo-6-propan-2-yl-2-quinolin-6-ylpyrimidin-4-amine (CID 66300911) is 5-iodo-6-propan-2-yl-2-quinolin-6-ylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-propan-2-yl-2-quinolin-6-ylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-propan-2-yl-2-quinolin-6-ylpyrimidin-4-amine is CC(C)c1nc(-c2ccc3ncccc3c2)nc(N)c1I.
What is the InChIKey of 5-iodo-6-propan-2-yl-2-quinolin-6-ylpyrimidin-4-amine?
The InChIKey is QUPWIRSWFPXLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN4/c1-9(2)14-13(17)15(18)21-16(20-14)11-5-6-12-10(8-11)4-3-7-19-12/h3-9H,1-2H3,(H2,18,20,21).
What are the key properties of 5-iodo-6-propan-2-yl-2-quinolin-6-ylpyrimidin-4-amine?
5-iodo-6-propan-2-yl-2-quinolin-6-ylpyrimidin-4-amine has a molecular weight of 390.23 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-propan-2-yl-2-quinolin-6-ylpyrimidin-4-amine is sourced from PubChem (CID 66300911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).