2-(3-chloro-2-pyridinyl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine

C15H18ClIN4 — CID 103445182

IUPAC2-(3-chloro-2-pyridinyl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ncccc2Cl)nc(CC(C)C)c1I
InChIInChI=1S/C15H18ClIN4/c1-4-18-14-12(17)11(8-9(2)3)20-15(21-14)13-10(16)6-5-7-19-13/h5-7,9H,4,8H2,1-3H3,(H,18,20,21)
InChIKeyYIMAVBIWYAADNG-UHFFFAOYSA-N
MW416.69 g/mol
LogP4.43
Rot. Bonds5

About 2-(3-chloro-2-pyridinyl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine

2-(3-chloro-2-pyridinyl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine (PubChem CID 103445182) has the molecular formula C15H18ClIN4 and a molecular weight of 416.69 g/mol. Its IUPAC name is 2-(3-chloro-2-pyridinyl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chloro-2-pyridinyl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
PubChem CID103445182
Molecular FormulaC15H18ClIN4
Molecular Weight416.69 g/mol
Exact Mass416.03
IUPAC Name2-(3-chloro-2-pyridinyl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ncccc2Cl)nc(CC(C)C)c1I
InChIInChI=1S/C15H18ClIN4/c1-4-18-14-12(17)11(8-9(2)3)20-15(21-14)13-10(16)6-5-7-19-13/h5-7,9H,4,8H2,1-3H3,(H,18,20,21)
InChIKeyYIMAVBIWYAADNG-UHFFFAOYSA-N
XLogP4.43
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.69
LogP ≤ 54.43
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 2-(3-chloro-2-pyridinyl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of 2-(3-chloro-2-pyridinyl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine (CID 103445182) is 2-(3-chloro-2-pyridinyl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(3-chloro-2-pyridinyl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for 2-(3-chloro-2-pyridinyl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine is CCNc1nc(-c2ncccc2Cl)nc(CC(C)C)c1I.
What is the InChIKey of 2-(3-chloro-2-pyridinyl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine?
The InChIKey is YIMAVBIWYAADNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClIN4/c1-4-18-14-12(17)11(8-9(2)3)20-15(21-14)13-10(16)6-5-7-19-13/h5-7,9H,4,8H2,1-3H3,(H,18,20,21).
What are the key properties of 2-(3-chloro-2-pyridinyl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine?
2-(3-chloro-2-pyridinyl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine has a molecular weight of 416.69 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-pyridinyl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 103445182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).