(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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Related Compounds

4-[6-(4-Acetyl-1-piperazinyl)-4-pyrimidinyl]morpholine
CID 70702860
1-Morpholin-4-yl-2-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 75369968
2-Cyclopropyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 97450997
1-(4-Isopropylpiperazino)-2-[1-(2-methoxy-4-pyrimidinyl)-4-piperidyl]-1-ethanone
CID 53189248
2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 53189403
4-{6-[4-(2-Ethylbutanoyl)-1-piperazinyl]-4-pyrimidinyl}morpholine
CID 45543764
1-{2-[(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)(methyl)amino]ethyl}piperidin-2-one
CID 50982259
N,N-dimethyl-4-[4-[(2S)-1-morpholin-4-ylpropan-2-yl]piperazin-1-yl]pyrimidin-2-amine
CID 97125250
N-[(Z)-2-[4-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)pyrimidin-2-yl]-2-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]methanimine
CID 139359769
[(2R,3S)-3-amino-2-[(3,3-difluoro-1-pyrimidin-2-ylpiperidin-4-yl)oxymethyl]piperidin-1-yl]-cyclopropylmethanone
CID 166854186
(1-Pyrimidin-2-ylpiperidin-4-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone
CID 56168692
1-(4-Pyrimidin-2-ylpiperazin-1-yl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propan-1-one
CID 60599022

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).