5-bromo-N-(2-but-3-enoxyethyl)pyrimidin-2-amine

C10H14BrN3O — CID 103853765

IUPAC5-bromo-N-(2-but-3-enoxyethyl)pyrimidin-2-amine
SMILESC=CCCOCCNc1ncc(Br)cn1
InChIInChI=1S/C10H14BrN3O/c1-2-3-5-15-6-4-12-10-13-7-9(11)8-14-10/h2,7-8H,1,3-6H2,(H,12,13,14)
InChIKeyHHIDJTWTGHHONC-UHFFFAOYSA-N
MW272.15 g/mol
LogP2.24
Rot. Bonds7

About 5-bromo-N-(2-but-3-enoxyethyl)pyrimidin-2-amine

5-bromo-N-(2-but-3-enoxyethyl)pyrimidin-2-amine (PubChem CID 103853765) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 5-bromo-N-(2-but-3-enoxyethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-but-3-enoxyethyl)pyrimidin-2-amine
PubChem CID103853765
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name5-bromo-N-(2-but-3-enoxyethyl)pyrimidin-2-amine
SMILESC=CCCOCCNc1ncc(Br)cn1
InChIInChI=1S/C10H14BrN3O/c1-2-3-5-15-6-4-12-10-13-7-9(11)8-14-10/h2,7-8H,1,3-6H2,(H,12,13,14)
InChIKeyHHIDJTWTGHHONC-UHFFFAOYSA-N
XLogP2.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-but-3-enoxyethyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(2-but-3-enoxyethyl)pyrimidin-2-amine (CID 103853765) is 5-bromo-N-(2-but-3-enoxyethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-but-3-enoxyethyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(2-but-3-enoxyethyl)pyrimidin-2-amine is C=CCCOCCNc1ncc(Br)cn1.
What is the InChIKey of 5-bromo-N-(2-but-3-enoxyethyl)pyrimidin-2-amine?
The InChIKey is HHIDJTWTGHHONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-2-3-5-15-6-4-12-10-13-7-9(11)8-14-10/h2,7-8H,1,3-6H2,(H,12,13,14).
What are the key properties of 5-bromo-N-(2-but-3-enoxyethyl)pyrimidin-2-amine?
5-bromo-N-(2-but-3-enoxyethyl)pyrimidin-2-amine has a molecular weight of 272.15 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-but-3-enoxyethyl)pyrimidin-2-amine is sourced from PubChem (CID 103853765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).