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

C16H21FN4O3 — CID 131681671

IUPAC(1-fluorocyclopropyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone
SMILESO=C(N1CCOCC1c1nccc(N2CCOCC2)n1)C1(F)CC1
InChIInChI=1S/C16H21FN4O3/c17-16(2-3-16)15(22)21-7-10-24-11-12(21)14-18-4-1-13(19-14)20-5-8-23-9-6-20/h1,4,12H,2-3,5-11H2
InChIKeyHCJCOHSGRNOZKX-UHFFFAOYSA-N
MW336.37 g/mol
LogP0.72
Rot. Bonds3

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

(1-fluorocyclopropyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone (PubChem CID 131681671) has the molecular formula C16H21FN4O3 and a molecular weight of 336.37 g/mol. Its IUPAC name is (1-fluorocyclopropyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(1-fluorocyclopropyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone
PubChem CID131681671
Molecular FormulaC16H21FN4O3
Molecular Weight336.37 g/mol
Exact Mass336.16
IUPAC Name(1-fluorocyclopropyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone
SMILESO=C(N1CCOCC1c1nccc(N2CCOCC2)n1)C1(F)CC1
InChIInChI=1S/C16H21FN4O3/c17-16(2-3-16)15(22)21-7-10-24-11-12(21)14-18-4-1-13(19-14)20-5-8-23-9-6-20/h1,4,12H,2-3,5-11H2
InChIKeyHCJCOHSGRNOZKX-UHFFFAOYSA-N
XLogP0.72
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-fluorocyclopropyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone?
The IUPAC name of (1-fluorocyclopropyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone (CID 131681671) is (1-fluorocyclopropyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (1-fluorocyclopropyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for (1-fluorocyclopropyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone is O=C(N1CCOCC1c1nccc(N2CCOCC2)n1)C1(F)CC1.
What is the InChIKey of (1-fluorocyclopropyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone?
The InChIKey is HCJCOHSGRNOZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O3/c17-16(2-3-16)15(22)21-7-10-24-11-12(21)14-18-4-1-13(19-14)20-5-8-23-9-6-20/h1,4,12H,2-3,5-11H2.
What are the key properties of (1-fluorocyclopropyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone?
(1-fluorocyclopropyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone has a molecular weight of 336.37 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluorocyclopropyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 131681671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).