5-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

C11H15FN6O — CID 133487663

IUPAC5-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCCc1ncnc(NCc2nc(N(C)C)no2)c1F
InChIInChI=1S/C11H15FN6O/c1-4-7-9(12)10(15-6-14-7)13-5-8-16-11(17-19-8)18(2)3/h6H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyOVQYLPZWIRWROR-UHFFFAOYSA-N
MW266.28 g/mol
LogP1.24
Rot. Bonds5

About 5-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

5-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 133487663) has the molecular formula C11H15FN6O and a molecular weight of 266.28 g/mol. Its IUPAC name is 5-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID133487663
Molecular FormulaC11H15FN6O
Molecular Weight266.28 g/mol
Exact Mass266.13
IUPAC Name5-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCCc1ncnc(NCc2nc(N(C)C)no2)c1F
InChIInChI=1S/C11H15FN6O/c1-4-7-9(12)10(15-6-14-7)13-5-8-16-11(17-19-8)18(2)3/h6H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyOVQYLPZWIRWROR-UHFFFAOYSA-N
XLogP1.24
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-ethyl-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 103880030
N,N-dimethyl-5-[[(8-methylquinazolin-4-yl)amino]methyl]-1,2,4-oxadiazol-3-amine
CID 133487722
5-[[(6-bromoquinazolin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 86816263
N-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 133487679
5-[(tert-butylamino)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 115741669
N-[(2-aminophenyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 114045758
6-ethyl-5-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 103879890
N-[(4-aminophenyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 114045737
N-(6-ethyl-5-fluoropyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 113344333
5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 133487649
6-ethyl-5-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 103883732
5-[(2,6-difluoro-4-nitroanilino)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 133487627

Frequently Asked Questions

What is the IUPAC name of 5-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 133487663) is 5-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is CCc1ncnc(NCc2nc(N(C)C)no2)c1F.
What is the InChIKey of 5-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is OVQYLPZWIRWROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN6O/c1-4-7-9(12)10(15-6-14-7)13-5-8-16-11(17-19-8)18(2)3/h6H,4-5H2,1-3H3,(H,13,14,15).
What are the key properties of 5-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 266.28 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 133487663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).