6-tert-butyl-N-ethyl-5-iodo-2-pentan-3-ylpyrimidin-4-amine

C15H26IN3 — CID 66296552

IUPAC6-tert-butyl-N-ethyl-5-iodo-2-pentan-3-ylpyrimidin-4-amine
SMILESCCNc1nc(C(CC)CC)nc(C(C)(C)C)c1I
InChIInChI=1S/C15H26IN3/c1-7-10(8-2)13-18-12(15(4,5)6)11(16)14(19-13)17-9-3/h10H,7-9H2,1-6H3,(H,17,18,19)
InChIKeyTZGWITBKNWBNPH-UHFFFAOYSA-N
MW375.30 g/mol
LogP4.71
Rot. Bonds5

About 6-tert-butyl-N-ethyl-5-iodo-2-pentan-3-ylpyrimidin-4-amine

6-tert-butyl-N-ethyl-5-iodo-2-pentan-3-ylpyrimidin-4-amine (PubChem CID 66296552) has the molecular formula C15H26IN3 and a molecular weight of 375.30 g/mol. Its IUPAC name is 6-tert-butyl-N-ethyl-5-iodo-2-pentan-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-ethyl-5-iodo-2-pentan-3-ylpyrimidin-4-amine
PubChem CID66296552
Molecular FormulaC15H26IN3
Molecular Weight375.30 g/mol
Exact Mass375.12
IUPAC Name6-tert-butyl-N-ethyl-5-iodo-2-pentan-3-ylpyrimidin-4-amine
SMILESCCNc1nc(C(CC)CC)nc(C(C)(C)C)c1I
InChIInChI=1S/C15H26IN3/c1-7-10(8-2)13-18-12(15(4,5)6)11(16)14(19-13)17-9-3/h10H,7-9H2,1-6H3,(H,17,18,19)
InChIKeyTZGWITBKNWBNPH-UHFFFAOYSA-N
XLogP4.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 54.71
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-tert-butyl-N-ethyl-5-iodo-2-pentan-3-ylpyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-N-ethyl-5-iodo-2-pentan-3-ylpyrimidin-4-amine (CID 66296552) is 6-tert-butyl-N-ethyl-5-iodo-2-pentan-3-ylpyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-N-ethyl-5-iodo-2-pentan-3-ylpyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-N-ethyl-5-iodo-2-pentan-3-ylpyrimidin-4-amine is CCNc1nc(C(CC)CC)nc(C(C)(C)C)c1I.
What is the InChIKey of 6-tert-butyl-N-ethyl-5-iodo-2-pentan-3-ylpyrimidin-4-amine?
The InChIKey is TZGWITBKNWBNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26IN3/c1-7-10(8-2)13-18-12(15(4,5)6)11(16)14(19-13)17-9-3/h10H,7-9H2,1-6H3,(H,17,18,19).
What are the key properties of 6-tert-butyl-N-ethyl-5-iodo-2-pentan-3-ylpyrimidin-4-amine?
6-tert-butyl-N-ethyl-5-iodo-2-pentan-3-ylpyrimidin-4-amine has a molecular weight of 375.30 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-ethyl-5-iodo-2-pentan-3-ylpyrimidin-4-amine is sourced from PubChem (CID 66296552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).