5-fluoro-4-methoxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-2-amine

C12H16FN5O2 — CID 135092788

IUPAC5-fluoro-4-methoxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-2-amine
SMILESCOc1nc(NCc2noc(CC(C)C)n2)ncc1F
InChIInChI=1S/C12H16FN5O2/c1-7(2)4-10-16-9(18-20-10)6-15-12-14-5-8(13)11(17-12)19-3/h5,7H,4,6H2,1-3H3,(H,14,15,17)
InChIKeyQJMQJSYGCWXANF-UHFFFAOYSA-N
MW281.29 g/mol
LogP1.82
Rot. Bonds6

About 5-fluoro-4-methoxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-2-amine

5-fluoro-4-methoxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-2-amine (PubChem CID 135092788) has the molecular formula C12H16FN5O2 and a molecular weight of 281.29 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-methoxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-2-amine
PubChem CID135092788
Molecular FormulaC12H16FN5O2
Molecular Weight281.29 g/mol
Exact Mass281.13
IUPAC Name5-fluoro-4-methoxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-2-amine
SMILESCOc1nc(NCc2noc(CC(C)C)n2)ncc1F
InChIInChI=1S/C12H16FN5O2/c1-7(2)4-10-16-9(18-20-10)6-15-12-14-5-8(13)11(17-12)19-3/h5,7H,4,6H2,1-3H3,(H,14,15,17)
InChIKeyQJMQJSYGCWXANF-UHFFFAOYSA-N
XLogP1.82
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-fluoro-4-methoxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-methoxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-2-amine (CID 135092788) is 5-fluoro-4-methoxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-methoxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-methoxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-2-amine is COc1nc(NCc2noc(CC(C)C)n2)ncc1F.
What is the InChIKey of 5-fluoro-4-methoxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-2-amine?
The InChIKey is QJMQJSYGCWXANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5O2/c1-7(2)4-10-16-9(18-20-10)6-15-12-14-5-8(13)11(17-12)19-3/h5,7H,4,6H2,1-3H3,(H,14,15,17).
What are the key properties of 5-fluoro-4-methoxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-2-amine?
5-fluoro-4-methoxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-2-amine has a molecular weight of 281.29 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 135092788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).