6-cyclopropyl-2-(3-ethylcyclohexyl)-5-iodopyrimidin-4-amine

C15H22IN3 — CID 66304402

IUPAC6-cyclopropyl-2-(3-ethylcyclohexyl)-5-iodopyrimidin-4-amine
SMILESCCC1CCCC(c2nc(N)c(I)c(C3CC3)n2)C1
InChIInChI=1S/C15H22IN3/c1-2-9-4-3-5-11(8-9)15-18-13(10-6-7-10)12(16)14(17)19-15/h9-11H,2-8H2,1H3,(H2,17,18,19)
InChIKeyLKXJGGXDFBYTQY-UHFFFAOYSA-N
MW371.27 g/mol
LogP4.22
Rot. Bonds3

About 6-cyclopropyl-2-(3-ethylcyclohexyl)-5-iodopyrimidin-4-amine

6-cyclopropyl-2-(3-ethylcyclohexyl)-5-iodopyrimidin-4-amine (PubChem CID 66304402) has the molecular formula C15H22IN3 and a molecular weight of 371.27 g/mol. Its IUPAC name is 6-cyclopropyl-2-(3-ethylcyclohexyl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-(3-ethylcyclohexyl)-5-iodopyrimidin-4-amine
PubChem CID66304402
Molecular FormulaC15H22IN3
Molecular Weight371.27 g/mol
Exact Mass371.09
IUPAC Name6-cyclopropyl-2-(3-ethylcyclohexyl)-5-iodopyrimidin-4-amine
SMILESCCC1CCCC(c2nc(N)c(I)c(C3CC3)n2)C1
InChIInChI=1S/C15H22IN3/c1-2-9-4-3-5-11(8-9)15-18-13(10-6-7-10)12(16)14(17)19-15/h9-11H,2-8H2,1H3,(H2,17,18,19)
InChIKeyLKXJGGXDFBYTQY-UHFFFAOYSA-N
XLogP4.22
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.27
LogP ≤ 54.22
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 6-cyclopropyl-2-(3-ethylcyclohexyl)-5-iodopyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-(3-ethylcyclohexyl)-5-iodopyrimidin-4-amine (CID 66304402) is 6-cyclopropyl-2-(3-ethylcyclohexyl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-(3-ethylcyclohexyl)-5-iodopyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-(3-ethylcyclohexyl)-5-iodopyrimidin-4-amine is CCC1CCCC(c2nc(N)c(I)c(C3CC3)n2)C1.
What is the InChIKey of 6-cyclopropyl-2-(3-ethylcyclohexyl)-5-iodopyrimidin-4-amine?
The InChIKey is LKXJGGXDFBYTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22IN3/c1-2-9-4-3-5-11(8-9)15-18-13(10-6-7-10)12(16)14(17)19-15/h9-11H,2-8H2,1H3,(H2,17,18,19).
What are the key properties of 6-cyclopropyl-2-(3-ethylcyclohexyl)-5-iodopyrimidin-4-amine?
6-cyclopropyl-2-(3-ethylcyclohexyl)-5-iodopyrimidin-4-amine has a molecular weight of 371.27 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(3-ethylcyclohexyl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66304402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).