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

C15H26IN3O — CID 116776679

IUPAC2-(2-ethoxybutan-2-yl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C(C)(CC)OCC)nc(NCC)c1I
InChIInChI=1S/C15H26IN3O/c1-6-10-11-12(16)13(17-8-3)19-14(18-11)15(5,7-2)20-9-4/h6-10H2,1-5H3,(H,17,18,19)
InChIKeyBUSRSZVHCSMJFB-UHFFFAOYSA-N
MW391.30 g/mol
LogP4.13
Rot. Bonds8

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

2-(2-ethoxybutan-2-yl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine (PubChem CID 116776679) has the molecular formula C15H26IN3O and a molecular weight of 391.30 g/mol. Its IUPAC name is 2-(2-ethoxybutan-2-yl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-ethoxybutan-2-yl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
PubChem CID116776679
Molecular FormulaC15H26IN3O
Molecular Weight391.30 g/mol
Exact Mass391.11
IUPAC Name2-(2-ethoxybutan-2-yl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C(C)(CC)OCC)nc(NCC)c1I
InChIInChI=1S/C15H26IN3O/c1-6-10-11-12(16)13(17-8-3)19-14(18-11)15(5,7-2)20-9-4/h6-10H2,1-5H3,(H,17,18,19)
InChIKeyBUSRSZVHCSMJFB-UHFFFAOYSA-N
XLogP4.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 54.13
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)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine?
The IUPAC name of 2-(2-ethoxybutan-2-yl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine (CID 116776679) is 2-(2-ethoxybutan-2-yl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-ethoxybutan-2-yl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-(2-ethoxybutan-2-yl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine is CCCc1nc(C(C)(CC)OCC)nc(NCC)c1I.
What is the InChIKey of 2-(2-ethoxybutan-2-yl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine?
The InChIKey is BUSRSZVHCSMJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26IN3O/c1-6-10-11-12(16)13(17-8-3)19-14(18-11)15(5,7-2)20-9-4/h6-10H2,1-5H3,(H,17,18,19).
What are the key properties of 2-(2-ethoxybutan-2-yl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine?
2-(2-ethoxybutan-2-yl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine has a molecular weight of 391.30 g/mol, XLogP of 4.13, 8 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)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine is sourced from PubChem (CID 116776679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).