2-(2-bicyclo[2.2.1]heptanyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine

C15H20ClIN2 — CID 113383405

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1nc(C2CC3CCC2C3)nc(Cl)c1I
InChIInChI=1S/C15H20ClIN2/c1-8(2)5-12-13(17)14(16)19-15(18-12)11-7-9-3-4-10(11)6-9/h8-11H,3-7H2,1-2H3
InChIKeyGIYQTANGFZGCQY-UHFFFAOYSA-N
MW390.70 g/mol
LogP4.84
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine

2-(2-bicyclo[2.2.1]heptanyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine (PubChem CID 113383405) has the molecular formula C15H20ClIN2 and a molecular weight of 390.70 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine
PubChem CID113383405
Molecular FormulaC15H20ClIN2
Molecular Weight390.70 g/mol
Exact Mass390.04
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1nc(C2CC3CCC2C3)nc(Cl)c1I
InChIInChI=1S/C15H20ClIN2/c1-8(2)5-12-13(17)14(16)19-15(18-12)11-7-9-3-4-10(11)6-9/h8-11H,3-7H2,1-2H3
InChIKeyGIYQTANGFZGCQY-UHFFFAOYSA-N
XLogP4.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.70
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-bicyclo[2.2.1]heptanyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine (CID 113383405) is 2-(2-bicyclo[2.2.1]heptanyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine is CC(C)Cc1nc(C2CC3CCC2C3)nc(Cl)c1I.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine?
The InChIKey is GIYQTANGFZGCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClIN2/c1-8(2)5-12-13(17)14(16)19-15(18-12)11-7-9-3-4-10(11)6-9/h8-11H,3-7H2,1-2H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine?
2-(2-bicyclo[2.2.1]heptanyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine has a molecular weight of 390.70 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine is sourced from PubChem (CID 113383405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).