4-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)morpholine

C12H17FN4O2 — CID 616971

IUPAC4-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)morpholine
SMILESFc1cnc(N2CCOCC2)nc1N1CCOCC1
InChIInChI=1S/C12H17FN4O2/c13-10-9-14-12(17-3-7-19-8-4-17)15-11(10)16-1-5-18-6-2-16/h9H,1-8H2
InChIKeyIHXWLXYUTBRCKB-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.29
Rot. Bonds2

About 4-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)morpholine

4-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)morpholine (PubChem CID 616971) has the molecular formula C12H17FN4O2 and a molecular weight of 268.29 g/mol. Its IUPAC name is 4-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)morpholine
PubChem CID616971
Molecular FormulaC12H17FN4O2
Molecular Weight268.29 g/mol
Exact Mass268.13
IUPAC Name4-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)morpholine
SMILESFc1cnc(N2CCOCC2)nc1N1CCOCC1
InChIInChI=1S/C12H17FN4O2/c13-10-9-14-12(17-3-7-19-8-4-17)15-11(10)16-1-5-18-6-2-16/h9H,1-8H2
InChIKeyIHXWLXYUTBRCKB-UHFFFAOYSA-N
XLogP0.29
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4,6-Dimorpholino-1,3,5-triazin-2-yl)pyrimidin-2-amine
CID 46202651
4-[5-Bromo-4-(1-piperidinyl)-2-pyrimidinyl]morpholine
CID 888822
4-[5-Bromo-2-(1-pyrrolidinyl)-4-pyrimidinyl]morpholine
CID 889680
4-[5-Bromo-2-(1-piperidinyl)-4-pyrimidinyl]morpholine
CID 890559
4-(5-Fluoro-2-hydrazinylpyrimidin-4-yl)morpholine
CID 676540
5-Fluoro-2-(morpholin-4-yl)pyrimidin-4-amine
CID 756382
5-fluoro-N-methyl-2-(morpholin-4-yl)pyrimidin-4-amine
CID 3121396
2-Morpholinopyrimidine-5-boronic acid
CID 46864007
2-{[5-Fluoro-2-(morpholin-4-yl)pyrimidin-4-yl]amino}ethanol
CID 1945080
4-(6-Morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine
CID 56880198
4-(6-Piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112856006
2-[8-(5-Fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol
CID 118743010

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)morpholine?
The IUPAC name of 4-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)morpholine (CID 616971) is 4-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)morpholine is Fc1cnc(N2CCOCC2)nc1N1CCOCC1.
What is the InChIKey of 4-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)morpholine?
The InChIKey is IHXWLXYUTBRCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O2/c13-10-9-14-12(17-3-7-19-8-4-17)15-11(10)16-1-5-18-6-2-16/h9H,1-8H2.
What are the key properties of 4-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)morpholine?
4-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)morpholine has a molecular weight of 268.29 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 616971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).