3-(5-amino-3-bromo-2-pyridinyl)-1-ethyl-1-methylurea

C9H13BrN4O — CID 79160095

IUPAC3-(5-amino-3-bromo-2-pyridinyl)-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)Nc1ncc(N)cc1Br
InChIInChI=1S/C9H13BrN4O/c1-3-14(2)9(15)13-8-7(10)4-6(11)5-12-8/h4-5H,3,11H2,1-2H3,(H,12,13,15)
InChIKeyRTFQARGYKVZKIZ-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.91
Rot. Bonds2

About 3-(5-amino-3-bromo-2-pyridinyl)-1-ethyl-1-methylurea

3-(5-amino-3-bromo-2-pyridinyl)-1-ethyl-1-methylurea (PubChem CID 79160095) has the molecular formula C9H13BrN4O and a molecular weight of 273.13 g/mol. Its IUPAC name is 3-(5-amino-3-bromo-2-pyridinyl)-1-ethyl-1-methylurea.

Molecular Properties

Compound Name3-(5-amino-3-bromo-2-pyridinyl)-1-ethyl-1-methylurea
PubChem CID79160095
Molecular FormulaC9H13BrN4O
Molecular Weight273.13 g/mol
Exact Mass272.03
IUPAC Name3-(5-amino-3-bromo-2-pyridinyl)-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)Nc1ncc(N)cc1Br
InChIInChI=1S/C9H13BrN4O/c1-3-14(2)9(15)13-8-7(10)4-6(11)5-12-8/h4-5H,3,11H2,1-2H3,(H,12,13,15)
InChIKeyRTFQARGYKVZKIZ-UHFFFAOYSA-N
XLogP1.91
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-3-bromo-2-pyridinyl)-1-ethyl-1-methylurea?
The IUPAC name of 3-(5-amino-3-bromo-2-pyridinyl)-1-ethyl-1-methylurea (CID 79160095) is 3-(5-amino-3-bromo-2-pyridinyl)-1-ethyl-1-methylurea.
What is the SMILES notation for 3-(5-amino-3-bromo-2-pyridinyl)-1-ethyl-1-methylurea?
The canonical SMILES for 3-(5-amino-3-bromo-2-pyridinyl)-1-ethyl-1-methylurea is CCN(C)C(=O)Nc1ncc(N)cc1Br.
What is the InChIKey of 3-(5-amino-3-bromo-2-pyridinyl)-1-ethyl-1-methylurea?
The InChIKey is RTFQARGYKVZKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4O/c1-3-14(2)9(15)13-8-7(10)4-6(11)5-12-8/h4-5H,3,11H2,1-2H3,(H,12,13,15).
What are the key properties of 3-(5-amino-3-bromo-2-pyridinyl)-1-ethyl-1-methylurea?
3-(5-amino-3-bromo-2-pyridinyl)-1-ethyl-1-methylurea has a molecular weight of 273.13 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-3-bromo-2-pyridinyl)-1-ethyl-1-methylurea is sourced from PubChem (CID 79160095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).