2-(2-chlorophenyl)-5-iodo-6-propylpyrimidin-4-amine

C13H13ClIN3 — CID 66307572

IUPAC2-(2-chlorophenyl)-5-iodo-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccccc2Cl)nc(N)c1I
InChIInChI=1S/C13H13ClIN3/c1-2-5-10-11(15)12(16)18-13(17-10)8-6-3-4-7-9(8)14/h3-4,6-7H,2,5H2,1H3,(H2,16,17,18)
InChIKeyTUGCLHVXHXXKRD-UHFFFAOYSA-N
MW373.63 g/mol
LogP3.94
Rot. Bonds3

About 2-(2-chlorophenyl)-5-iodo-6-propylpyrimidin-4-amine

2-(2-chlorophenyl)-5-iodo-6-propylpyrimidin-4-amine (PubChem CID 66307572) has the molecular formula C13H13ClIN3 and a molecular weight of 373.63 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-iodo-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-iodo-6-propylpyrimidin-4-amine
PubChem CID66307572
Molecular FormulaC13H13ClIN3
Molecular Weight373.63 g/mol
Exact Mass372.98
IUPAC Name2-(2-chlorophenyl)-5-iodo-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccccc2Cl)nc(N)c1I
InChIInChI=1S/C13H13ClIN3/c1-2-5-10-11(15)12(16)18-13(17-10)8-6-3-4-7-9(8)14/h3-4,6-7H,2,5H2,1H3,(H2,16,17,18)
InChIKeyTUGCLHVXHXXKRD-UHFFFAOYSA-N
XLogP3.94
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.63
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-chlorophenyl)-5-iodo-6-propylpyrimidin-4-amine?
The IUPAC name of 2-(2-chlorophenyl)-5-iodo-6-propylpyrimidin-4-amine (CID 66307572) is 2-(2-chlorophenyl)-5-iodo-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-5-iodo-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-(2-chlorophenyl)-5-iodo-6-propylpyrimidin-4-amine is CCCc1nc(-c2ccccc2Cl)nc(N)c1I.
What is the InChIKey of 2-(2-chlorophenyl)-5-iodo-6-propylpyrimidin-4-amine?
The InChIKey is TUGCLHVXHXXKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClIN3/c1-2-5-10-11(15)12(16)18-13(17-10)8-6-3-4-7-9(8)14/h3-4,6-7H,2,5H2,1H3,(H2,16,17,18).
What are the key properties of 2-(2-chlorophenyl)-5-iodo-6-propylpyrimidin-4-amine?
2-(2-chlorophenyl)-5-iodo-6-propylpyrimidin-4-amine has a molecular weight of 373.63 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-iodo-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66307572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).