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

C17H23FN4O3 — CID 131680211

IUPAC(3-fluorocyclobutyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone
SMILESO=C(C1CC(F)C1)N1CCOCC1c1nccc(N2CCOCC2)n1
InChIInChI=1S/C17H23FN4O3/c18-13-9-12(10-13)17(23)22-5-8-25-11-14(22)16-19-2-1-15(20-16)21-3-6-24-7-4-21/h1-2,12-14H,3-11H2
InChIKeyMPBFCYLTDIIFPI-UHFFFAOYSA-N
MW350.39 g/mol
LogP0.96
Rot. Bonds3

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

(3-fluorocyclobutyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone (PubChem CID 131680211) has the molecular formula C17H23FN4O3 and a molecular weight of 350.39 g/mol. Its IUPAC name is (3-fluorocyclobutyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-fluorocyclobutyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone
PubChem CID131680211
Molecular FormulaC17H23FN4O3
Molecular Weight350.39 g/mol
Exact Mass350.18
IUPAC Name(3-fluorocyclobutyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone
SMILESO=C(C1CC(F)C1)N1CCOCC1c1nccc(N2CCOCC2)n1
InChIInChI=1S/C17H23FN4O3/c18-13-9-12(10-13)17(23)22-5-8-25-11-14(22)16-19-2-1-15(20-16)21-3-6-24-7-4-21/h1-2,12-14H,3-11H2
InChIKeyMPBFCYLTDIIFPI-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
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
Morpholino[1-(4-morpholino-5-pyrimidinyl)-4-piperidyl]methanone
CID 53165836
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

Frequently Asked Questions

What is the IUPAC name of (3-fluorocyclobutyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone?
The IUPAC name of (3-fluorocyclobutyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone (CID 131680211) is (3-fluorocyclobutyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (3-fluorocyclobutyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for (3-fluorocyclobutyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone is O=C(C1CC(F)C1)N1CCOCC1c1nccc(N2CCOCC2)n1.
What is the InChIKey of (3-fluorocyclobutyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone?
The InChIKey is MPBFCYLTDIIFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O3/c18-13-9-12(10-13)17(23)22-5-8-25-11-14(22)16-19-2-1-15(20-16)21-3-6-24-7-4-21/h1-2,12-14H,3-11H2.
What are the key properties of (3-fluorocyclobutyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone?
(3-fluorocyclobutyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone has a molecular weight of 350.39 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorocyclobutyl)-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 131680211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).