5-iodo-N,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine

C15H13IN4 — CID 66297086

IUPAC5-iodo-N,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine
SMILESCNc1nc(-c2ccnc3ccccc23)nc(C)c1I
InChIInChI=1S/C15H13IN4/c1-9-13(16)15(17-2)20-14(19-9)11-7-8-18-12-6-4-3-5-10(11)12/h3-8H,1-2H3,(H,17,19,20)
InChIKeyOCNDETZJFMTRFQ-UHFFFAOYSA-N
MW376.20 g/mol
LogP3.65
Rot. Bonds2

About 5-iodo-N,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine

5-iodo-N,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine (PubChem CID 66297086) has the molecular formula C15H13IN4 and a molecular weight of 376.20 g/mol. Its IUPAC name is 5-iodo-N,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine
PubChem CID66297086
Molecular FormulaC15H13IN4
Molecular Weight376.20 g/mol
Exact Mass376.02
IUPAC Name5-iodo-N,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine
SMILESCNc1nc(-c2ccnc3ccccc23)nc(C)c1I
InChIInChI=1S/C15H13IN4/c1-9-13(16)15(17-2)20-14(19-9)11-7-8-18-12-6-4-3-5-10(11)12/h3-8H,1-2H3,(H,17,19,20)
InChIKeyOCNDETZJFMTRFQ-UHFFFAOYSA-N
XLogP3.65
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-N,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine?
The IUPAC name of 5-iodo-N,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine (CID 66297086) is 5-iodo-N,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-N,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine is CNc1nc(-c2ccnc3ccccc23)nc(C)c1I.
What is the InChIKey of 5-iodo-N,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine?
The InChIKey is OCNDETZJFMTRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IN4/c1-9-13(16)15(17-2)20-14(19-9)11-7-8-18-12-6-4-3-5-10(11)12/h3-8H,1-2H3,(H,17,19,20).
What are the key properties of 5-iodo-N,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine?
5-iodo-N,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine has a molecular weight of 376.20 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 66297086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).