2-(2-ethoxybutan-2-yl)-5-iodo-6-propylpyrimidin-4-amine

C13H22IN3O — CID 116776658

IUPAC2-(2-ethoxybutan-2-yl)-5-iodo-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C(C)(CC)OCC)nc(N)c1I
InChIInChI=1S/C13H22IN3O/c1-5-8-9-10(14)11(15)17-12(16-9)13(4,6-2)18-7-3/h5-8H2,1-4H3,(H2,15,16,17)
InChIKeyIEJDSRXJQMTZNS-UHFFFAOYSA-N
MW363.24 g/mol
LogP3.28
Rot. Bonds6

About 2-(2-ethoxybutan-2-yl)-5-iodo-6-propylpyrimidin-4-amine

2-(2-ethoxybutan-2-yl)-5-iodo-6-propylpyrimidin-4-amine (PubChem CID 116776658) has the molecular formula C13H22IN3O and a molecular weight of 363.24 g/mol. Its IUPAC name is 2-(2-ethoxybutan-2-yl)-5-iodo-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-ethoxybutan-2-yl)-5-iodo-6-propylpyrimidin-4-amine
PubChem CID116776658
Molecular FormulaC13H22IN3O
Molecular Weight363.24 g/mol
Exact Mass363.08
IUPAC Name2-(2-ethoxybutan-2-yl)-5-iodo-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C(C)(CC)OCC)nc(N)c1I
InChIInChI=1S/C13H22IN3O/c1-5-8-9-10(14)11(15)17-12(16-9)13(4,6-2)18-7-3/h5-8H2,1-4H3,(H2,15,16,17)
InChIKeyIEJDSRXJQMTZNS-UHFFFAOYSA-N
XLogP3.28
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 53.28
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-(2-ethoxybutan-2-yl)-5-iodo-6-propylpyrimidin-4-amine?
The IUPAC name of 2-(2-ethoxybutan-2-yl)-5-iodo-6-propylpyrimidin-4-amine (CID 116776658) is 2-(2-ethoxybutan-2-yl)-5-iodo-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-ethoxybutan-2-yl)-5-iodo-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-(2-ethoxybutan-2-yl)-5-iodo-6-propylpyrimidin-4-amine is CCCc1nc(C(C)(CC)OCC)nc(N)c1I.
What is the InChIKey of 2-(2-ethoxybutan-2-yl)-5-iodo-6-propylpyrimidin-4-amine?
The InChIKey is IEJDSRXJQMTZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22IN3O/c1-5-8-9-10(14)11(15)17-12(16-9)13(4,6-2)18-7-3/h5-8H2,1-4H3,(H2,15,16,17).
What are the key properties of 2-(2-ethoxybutan-2-yl)-5-iodo-6-propylpyrimidin-4-amine?
2-(2-ethoxybutan-2-yl)-5-iodo-6-propylpyrimidin-4-amine has a molecular weight of 363.24 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxybutan-2-yl)-5-iodo-6-propylpyrimidin-4-amine is sourced from PubChem (CID 116776658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).