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

C17H23FN4O3 — CID 131679935

IUPAC(1-fluorocyclobutyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone
SMILESO=C(N1CCOCC1c1nccc(N2CCOCC2)n1)C1(F)CCC1
InChIInChI=1S/C17H23FN4O3/c18-17(3-1-4-17)16(23)22-8-11-25-12-13(22)15-19-5-2-14(20-15)21-6-9-24-10-7-21/h2,5,13H,1,3-4,6-12H2
InChIKeyCYROWZRYHFBNBF-UHFFFAOYSA-N
MW350.39 g/mol
LogP1.11
Rot. Bonds3

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

(1-fluorocyclobutyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone (PubChem CID 131679935) has the molecular formula C17H23FN4O3 and a molecular weight of 350.39 g/mol. Its IUPAC name is (1-fluorocyclobutyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(1-fluorocyclobutyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone
PubChem CID131679935
Molecular FormulaC17H23FN4O3
Molecular Weight350.39 g/mol
Exact Mass350.18
IUPAC Name(1-fluorocyclobutyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone
SMILESO=C(N1CCOCC1c1nccc(N2CCOCC2)n1)C1(F)CCC1
InChIInChI=1S/C17H23FN4O3/c18-17(3-1-4-17)16(23)22-8-11-25-12-13(22)15-19-5-2-14(20-15)21-6-9-24-10-7-21/h2,5,13H,1,3-4,6-12H2
InChIKeyCYROWZRYHFBNBF-UHFFFAOYSA-N
XLogP1.11
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(Morpholin-4-ylcarbonyl)-1'-pyrimidin-2-yl-1,4'-bipiperidine
CID 56862502
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
2-(Dimethylamino)-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 97450998
N~4~-butyl-N~4~-methyl-1-(4-morpholino-5-pyrimidinyl)-4-piperidinecarboxamide
CID 53165778
N~4~-methyl-1-(4-morpholino-5-pyrimidinyl)-N~4~-propyl-4-piperidinecarboxamide
CID 53165824
2-(4-{2-[1-(2-Methoxy-4-pyrimidinyl)-4-piperidyl]acetyl}piperazino)ethyl cyanide
CID 53189245
1-(4-Ethylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone
CID 53189247
1-(4-Isopropylpiperazino)-2-[1-(2-methoxy-4-pyrimidinyl)-4-piperidyl]-1-ethanone
CID 53189248
1-(4-Cyclohexylpiperazin-1-YL)-2-[1-(2-methoxypyrimidin-4-YL)piperidin-4-YL]ethan-1-one
CID 53189249
1-(4-Butylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone
CID 53189258
1-(4-Acetylpiperazin-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone
CID 53189259

Frequently Asked Questions

What is the IUPAC name of (1-fluorocyclobutyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone?
The IUPAC name of (1-fluorocyclobutyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone (CID 131679935) is (1-fluorocyclobutyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (1-fluorocyclobutyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for (1-fluorocyclobutyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone is O=C(N1CCOCC1c1nccc(N2CCOCC2)n1)C1(F)CCC1.
What is the InChIKey of (1-fluorocyclobutyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone?
The InChIKey is CYROWZRYHFBNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O3/c18-17(3-1-4-17)16(23)22-8-11-25-12-13(22)15-19-5-2-14(20-15)21-6-9-24-10-7-21/h2,5,13H,1,3-4,6-12H2.
What are the key properties of (1-fluorocyclobutyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone?
(1-fluorocyclobutyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone has a molecular weight of 350.39 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluorocyclobutyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 131679935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).