N-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]acetamide

C8H10BrClN4O — CID 21081020

IUPACN-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc(Cl)ncc1Br
InChIInChI=1S/C8H10BrClN4O/c1-5(15)11-2-3-12-7-6(9)4-13-8(10)14-7/h4H,2-3H2,1H3,(H,11,15)(H,12,13,14)
InChIKeyWCYQCYTVDUSGRU-UHFFFAOYSA-N
MW293.55 g/mol
LogP1.44
Rot. Bonds4

About N-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]acetamide

N-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]acetamide (PubChem CID 21081020) has the molecular formula C8H10BrClN4O and a molecular weight of 293.55 g/mol. Its IUPAC name is N-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]acetamide
PubChem CID21081020
Molecular FormulaC8H10BrClN4O
Molecular Weight293.55 g/mol
Exact Mass291.97
IUPAC NameN-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc(Cl)ncc1Br
InChIInChI=1S/C8H10BrClN4O/c1-5(15)11-2-3-12-7-6(9)4-13-8(10)14-7/h4H,2-3H2,1H3,(H,11,15)(H,12,13,14)
InChIKeyWCYQCYTVDUSGRU-UHFFFAOYSA-N
XLogP1.44
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.55
LogP ≤ 51.44
H-Bond Donors ≤ 52
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 N-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]acetamide (CID 21081020) is N-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]acetamide is CC(=O)NCCNc1nc(Cl)ncc1Br.
What is the InChIKey of N-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]acetamide?
The InChIKey is WCYQCYTVDUSGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrClN4O/c1-5(15)11-2-3-12-7-6(9)4-13-8(10)14-7/h4H,2-3H2,1H3,(H,11,15)(H,12,13,14).
What are the key properties of N-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]acetamide?
N-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]acetamide has a molecular weight of 293.55 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]acetamide is sourced from PubChem (CID 21081020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).