[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclopropyl)methanone

C16H21FN4O2 — CID 131687222

IUPAC[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclopropyl)methanone
SMILESO=C(N1CCOCC1c1nccc(NC2CCC2)n1)C1(F)CC1
InChIInChI=1S/C16H21FN4O2/c17-16(5-6-16)15(22)21-8-9-23-10-12(21)14-18-7-4-13(20-14)19-11-2-1-3-11/h4,7,11-12H,1-3,5-6,8-10H2,(H,18,19,20)
InChIKeyGLWCGFSLSBBJSP-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.84
Rot. Bonds4

About [3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclopropyl)methanone

[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclopropyl)methanone (PubChem CID 131687222) has the molecular formula C16H21FN4O2 and a molecular weight of 320.37 g/mol. Its IUPAC name is [3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclopropyl)methanone.

Molecular Properties

Compound Name[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclopropyl)methanone
PubChem CID131687222
Molecular FormulaC16H21FN4O2
Molecular Weight320.37 g/mol
Exact Mass320.16
IUPAC Name[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclopropyl)methanone
SMILESO=C(N1CCOCC1c1nccc(NC2CCC2)n1)C1(F)CC1
InChIInChI=1S/C16H21FN4O2/c17-16(5-6-16)15(22)21-8-9-23-10-12(21)14-18-7-4-13(20-14)19-11-2-1-3-11/h4,7,11-12H,1-3,5-6,8-10H2,(H,18,19,20)
InChIKeyGLWCGFSLSBBJSP-UHFFFAOYSA-N
XLogP1.84
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclopropyl)methanone 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 [3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclopropyl)methanone?
The IUPAC name of [3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclopropyl)methanone (CID 131687222) is [3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclopropyl)methanone.
What is the SMILES notation for [3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclopropyl)methanone?
The canonical SMILES for [3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclopropyl)methanone is O=C(N1CCOCC1c1nccc(NC2CCC2)n1)C1(F)CC1.
What is the InChIKey of [3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclopropyl)methanone?
The InChIKey is GLWCGFSLSBBJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2/c17-16(5-6-16)15(22)21-8-9-23-10-12(21)14-18-7-4-13(20-14)19-11-2-1-3-11/h4,7,11-12H,1-3,5-6,8-10H2,(H,18,19,20).
What are the key properties of [3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclopropyl)methanone?
[3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclopropyl)methanone has a molecular weight of 320.37 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(1-fluorocyclopropyl)methanone is sourced from PubChem (CID 131687222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).