N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine

C11H12FN5O2 — CID 131932079

IUPACN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine
SMILESCOc1nc(NCc2noc(C3CC3)n2)ncc1F
InChIInChI=1S/C11H12FN5O2/c1-18-10-7(12)4-13-11(16-10)14-5-8-15-9(19-17-8)6-2-3-6/h4,6H,2-3,5H2,1H3,(H,13,14,16)
InChIKeyJLWHLPLMVZQMQV-UHFFFAOYSA-N
MW265.25 g/mol
LogP1.50
Rot. Bonds5

About N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine (PubChem CID 131932079) has the molecular formula C11H12FN5O2 and a molecular weight of 265.25 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine
PubChem CID131932079
Molecular FormulaC11H12FN5O2
Molecular Weight265.25 g/mol
Exact Mass265.10
IUPAC NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine
SMILESCOc1nc(NCc2noc(C3CC3)n2)ncc1F
InChIInChI=1S/C11H12FN5O2/c1-18-10-7(12)4-13-11(16-10)14-5-8-15-9(19-17-8)6-2-3-6/h4,6H,2-3,5H2,1H3,(H,13,14,16)
InChIKeyJLWHLPLMVZQMQV-UHFFFAOYSA-N
XLogP1.50
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-4-methoxypyrimidin-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 N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine (CID 131932079) is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine is COc1nc(NCc2noc(C3CC3)n2)ncc1F.
What is the InChIKey of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine?
The InChIKey is JLWHLPLMVZQMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O2/c1-18-10-7(12)4-13-11(16-10)14-5-8-15-9(19-17-8)6-2-3-6/h4,6H,2-3,5H2,1H3,(H,13,14,16).
What are the key properties of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine?
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine has a molecular weight of 265.25 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 131932079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).