5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine

C15H26BrN3O — CID 106815296

IUPAC5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CCOCC)nc(C(C)(C)C)c1Br
InChIInChI=1S/C15H26BrN3O/c1-6-9-17-14-12(16)13(15(3,4)5)18-11(19-14)8-10-20-7-2/h6-10H2,1-5H3,(H,17,18,19)
InChIKeyUFNQZZYDDRKYQN-UHFFFAOYSA-N
MW344.30 g/mol
LogP3.94
Rot. Bonds7

About 5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine

5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine (PubChem CID 106815296) has the molecular formula C15H26BrN3O and a molecular weight of 344.30 g/mol. Its IUPAC name is 5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine
PubChem CID106815296
Molecular FormulaC15H26BrN3O
Molecular Weight344.30 g/mol
Exact Mass343.13
IUPAC Name5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CCOCC)nc(C(C)(C)C)c1Br
InChIInChI=1S/C15H26BrN3O/c1-6-9-17-14-12(16)13(15(3,4)5)18-11(19-14)8-10-20-7-2/h6-10H2,1-5H3,(H,17,18,19)
InChIKeyUFNQZZYDDRKYQN-UHFFFAOYSA-N
XLogP3.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine (CID 106815296) is 5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine is CCCNc1nc(CCOCC)nc(C(C)(C)C)c1Br.
What is the InChIKey of 5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine?
The InChIKey is UFNQZZYDDRKYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3O/c1-6-9-17-14-12(16)13(15(3,4)5)18-11(19-14)8-10-20-7-2/h6-10H2,1-5H3,(H,17,18,19).
What are the key properties of 5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine?
5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine has a molecular weight of 344.30 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 106815296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).