5-bromo-N-[3-(2-methylpropoxy)propyl]pyrimidin-4-amine

C11H18BrN3O — CID 103766959

IUPAC5-bromo-N-[3-(2-methylpropoxy)propyl]pyrimidin-4-amine
SMILESCC(C)COCCCNc1ncncc1Br
InChIInChI=1S/C11H18BrN3O/c1-9(2)7-16-5-3-4-14-11-10(12)6-13-8-15-11/h6,8-9H,3-5,7H2,1-2H3,(H,13,14,15)
InChIKeyHTSSADYZRWOKPY-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.71
Rot. Bonds7

About 5-bromo-N-[3-(2-methylpropoxy)propyl]pyrimidin-4-amine

5-bromo-N-[3-(2-methylpropoxy)propyl]pyrimidin-4-amine (PubChem CID 103766959) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 5-bromo-N-[3-(2-methylpropoxy)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-[3-(2-methylpropoxy)propyl]pyrimidin-4-amine
PubChem CID103766959
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name5-bromo-N-[3-(2-methylpropoxy)propyl]pyrimidin-4-amine
SMILESCC(C)COCCCNc1ncncc1Br
InChIInChI=1S/C11H18BrN3O/c1-9(2)7-16-5-3-4-14-11-10(12)6-13-8-15-11/h6,8-9H,3-5,7H2,1-2H3,(H,13,14,15)
InChIKeyHTSSADYZRWOKPY-UHFFFAOYSA-N
XLogP2.71
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.71
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-N-[3-(2-methylpropoxy)propyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-[3-(2-methylpropoxy)propyl]pyrimidin-4-amine (CID 103766959) is 5-bromo-N-[3-(2-methylpropoxy)propyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-[3-(2-methylpropoxy)propyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-[3-(2-methylpropoxy)propyl]pyrimidin-4-amine is CC(C)COCCCNc1ncncc1Br.
What is the InChIKey of 5-bromo-N-[3-(2-methylpropoxy)propyl]pyrimidin-4-amine?
The InChIKey is HTSSADYZRWOKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-9(2)7-16-5-3-4-14-11-10(12)6-13-8-15-11/h6,8-9H,3-5,7H2,1-2H3,(H,13,14,15).
What are the key properties of 5-bromo-N-[3-(2-methylpropoxy)propyl]pyrimidin-4-amine?
5-bromo-N-[3-(2-methylpropoxy)propyl]pyrimidin-4-amine has a molecular weight of 288.19 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(2-methylpropoxy)propyl]pyrimidin-4-amine is sourced from PubChem (CID 103766959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).