6-cyclopentyl-2-(1-ethoxy-2-methylpropyl)-5-iodopyrimidin-4-amine

C15H24IN3O — CID 116730162

IUPAC6-cyclopentyl-2-(1-ethoxy-2-methylpropyl)-5-iodopyrimidin-4-amine
SMILESCCOC(c1nc(N)c(I)c(C2CCCC2)n1)C(C)C
InChIInChI=1S/C15H24IN3O/c1-4-20-13(9(2)3)15-18-12(10-7-5-6-8-10)11(16)14(17)19-15/h9-10,13H,4-8H2,1-3H3,(H2,17,18,19)
InChIKeyIUCAWDXSHMQCDA-UHFFFAOYSA-N
MW389.28 g/mol
LogP4.05
Rot. Bonds5

About 6-cyclopentyl-2-(1-ethoxy-2-methylpropyl)-5-iodopyrimidin-4-amine

6-cyclopentyl-2-(1-ethoxy-2-methylpropyl)-5-iodopyrimidin-4-amine (PubChem CID 116730162) has the molecular formula C15H24IN3O and a molecular weight of 389.28 g/mol. Its IUPAC name is 6-cyclopentyl-2-(1-ethoxy-2-methylpropyl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopentyl-2-(1-ethoxy-2-methylpropyl)-5-iodopyrimidin-4-amine
PubChem CID116730162
Molecular FormulaC15H24IN3O
Molecular Weight389.28 g/mol
Exact Mass389.10
IUPAC Name6-cyclopentyl-2-(1-ethoxy-2-methylpropyl)-5-iodopyrimidin-4-amine
SMILESCCOC(c1nc(N)c(I)c(C2CCCC2)n1)C(C)C
InChIInChI=1S/C15H24IN3O/c1-4-20-13(9(2)3)15-18-12(10-7-5-6-8-10)11(16)14(17)19-15/h9-10,13H,4-8H2,1-3H3,(H2,17,18,19)
InChIKeyIUCAWDXSHMQCDA-UHFFFAOYSA-N
XLogP4.05
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.28
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-cyclopentyl-2-(1-ethoxyethyl)-5-iodopyrimidine
CID 113390284
6-cyclopropyl-5-iodo-2-propan-2-ylpyrimidin-4-amine
CID 66303993
4,6-dichloro-5-cyclopentyl-2-(1-ethoxy-2-methylpropyl)pyrimidine
CID 116706723
6-cyclopropyl-5-iodo-2-(1-methoxyethyl)pyrimidin-4-amine
CID 79617345
6-cyclopropyl-5-iodo-2-(1-methoxypropyl)pyrimidin-4-amine
CID 116729911
2-(1-ethoxy-2-methylpropyl)-5-iodopyrimidin-4-amine
CID 116729831
6-cyclopentyl-5-iodo-2-(3-methoxypentan-3-yl)pyrimidin-4-amine
CID 116777418
6-cyclopropyl-2-(3-ethylcyclohexyl)-5-iodopyrimidin-4-amine
CID 66304402
2-(1-ethoxy-2-methylpropyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 116729448
2-(1-ethoxyethyl)-5-iodo-6-methylpyrimidin-4-amine
CID 66306102
6-cyclopropyl-2-(1-ethoxycycloheptyl)-5-iodopyrimidin-4-amine
CID 116777204
6-cyclopentyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 116503076

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2-(1-ethoxy-2-methylpropyl)-5-iodopyrimidin-4-amine?
The IUPAC name of 6-cyclopentyl-2-(1-ethoxy-2-methylpropyl)-5-iodopyrimidin-4-amine (CID 116730162) is 6-cyclopentyl-2-(1-ethoxy-2-methylpropyl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for 6-cyclopentyl-2-(1-ethoxy-2-methylpropyl)-5-iodopyrimidin-4-amine?
The canonical SMILES for 6-cyclopentyl-2-(1-ethoxy-2-methylpropyl)-5-iodopyrimidin-4-amine is CCOC(c1nc(N)c(I)c(C2CCCC2)n1)C(C)C.
What is the InChIKey of 6-cyclopentyl-2-(1-ethoxy-2-methylpropyl)-5-iodopyrimidin-4-amine?
The InChIKey is IUCAWDXSHMQCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24IN3O/c1-4-20-13(9(2)3)15-18-12(10-7-5-6-8-10)11(16)14(17)19-15/h9-10,13H,4-8H2,1-3H3,(H2,17,18,19).
What are the key properties of 6-cyclopentyl-2-(1-ethoxy-2-methylpropyl)-5-iodopyrimidin-4-amine?
6-cyclopentyl-2-(1-ethoxy-2-methylpropyl)-5-iodopyrimidin-4-amine has a molecular weight of 389.28 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2-(1-ethoxy-2-methylpropyl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 116730162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).