N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine

C16H21FN6O2 — CID 50976122

IUPACN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
SMILESFc1cnc(NCc2noc(C3CCCC3)n2)nc1N1CCOCC1
InChIInChI=1S/C16H21FN6O2/c17-12-9-18-16(21-14(12)23-5-7-24-8-6-23)19-10-13-20-15(25-22-13)11-3-1-2-4-11/h9,11H,1-8,10H2,(H,18,19,21)
InChIKeyVVTZLDOZFIPEBK-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.11
Rot. Bonds5

About N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine

N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 50976122) has the molecular formula C16H21FN6O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
PubChem CID50976122
Molecular FormulaC16H21FN6O2
Molecular Weight348.38 g/mol
Exact Mass348.17
IUPAC NameN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
SMILESFc1cnc(NCc2noc(C3CCCC3)n2)nc1N1CCOCC1
InChIInChI=1S/C16H21FN6O2/c17-12-9-18-16(21-14(12)23-5-7-24-8-6-23)19-10-13-20-15(25-22-13)11-3-1-2-4-11/h9,11H,1-8,10H2,(H,18,19,21)
InChIKeyVVTZLDOZFIPEBK-UHFFFAOYSA-N
XLogP2.11
TPSA89.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-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-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine (CID 50976122) is N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine is Fc1cnc(NCc2noc(C3CCCC3)n2)nc1N1CCOCC1.
What is the InChIKey of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is VVTZLDOZFIPEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN6O2/c17-12-9-18-16(21-14(12)23-5-7-24-8-6-23)19-10-13-20-15(25-22-13)11-3-1-2-4-11/h9,11H,1-8,10H2,(H,18,19,21).
What are the key properties of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine?
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 348.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 50976122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).