5-[2-[(5-bromopyrimidin-4-yl)amino]ethyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

C10H13BrN6O — CID 86806461

IUPAC5-[2-[(5-bromopyrimidin-4-yl)amino]ethyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(CCNc2ncncc2Br)n1
InChIInChI=1S/C10H13BrN6O/c1-17(2)10-15-8(18-16-10)3-4-13-9-7(11)5-12-6-14-9/h5-6H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyLFXKPTZRJRKIPD-UHFFFAOYSA-N
MW313.16 g/mol
LogP1.34
Rot. Bonds5

About 5-[2-[(5-bromopyrimidin-4-yl)amino]ethyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

5-[2-[(5-bromopyrimidin-4-yl)amino]ethyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 86806461) has the molecular formula C10H13BrN6O and a molecular weight of 313.16 g/mol. Its IUPAC name is 5-[2-[(5-bromopyrimidin-4-yl)amino]ethyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[2-[(5-bromopyrimidin-4-yl)amino]ethyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID86806461
Molecular FormulaC10H13BrN6O
Molecular Weight313.16 g/mol
Exact Mass312.03
IUPAC Name5-[2-[(5-bromopyrimidin-4-yl)amino]ethyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(CCNc2ncncc2Br)n1
InChIInChI=1S/C10H13BrN6O/c1-17(2)10-15-8(18-16-10)3-4-13-9-7(11)5-12-6-14-9/h5-6H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyLFXKPTZRJRKIPD-UHFFFAOYSA-N
XLogP1.34
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(5-bromopyrimidin-4-yl)amino]ethyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[2-[(5-bromopyrimidin-4-yl)amino]ethyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 86806461) is 5-[2-[(5-bromopyrimidin-4-yl)amino]ethyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[2-[(5-bromopyrimidin-4-yl)amino]ethyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[2-[(5-bromopyrimidin-4-yl)amino]ethyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is CN(C)c1noc(CCNc2ncncc2Br)n1.
What is the InChIKey of 5-[2-[(5-bromopyrimidin-4-yl)amino]ethyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is LFXKPTZRJRKIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN6O/c1-17(2)10-15-8(18-16-10)3-4-13-9-7(11)5-12-6-14-9/h5-6H,3-4H2,1-2H3,(H,12,13,14).
What are the key properties of 5-[2-[(5-bromopyrimidin-4-yl)amino]ethyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-[2-[(5-bromopyrimidin-4-yl)amino]ethyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 313.16 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(5-bromopyrimidin-4-yl)amino]ethyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 86806461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).