3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazinane

C12H17FN4O2 — CID 3479212

IUPAC3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazinane
SMILESFc1cnc(N2CCCOC2)nc1N1CCOCC1
InChIInChI=1S/C12H17FN4O2/c13-10-8-14-12(17-2-1-5-19-9-17)15-11(10)16-3-6-18-7-4-16/h8H,1-7,9H2
InChIKeyCTEHRHOJHPTZAR-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.64
Rot. Bonds2

About 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazinane

3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazinane (PubChem CID 3479212) has the molecular formula C12H17FN4O2 and a molecular weight of 268.29 g/mol. Its IUPAC name is 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazinane.

Molecular Properties

Compound Name3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazinane
PubChem CID3479212
Molecular FormulaC12H17FN4O2
Molecular Weight268.29 g/mol
Exact Mass268.13
IUPAC Name3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazinane
SMILESFc1cnc(N2CCCOC2)nc1N1CCOCC1
InChIInChI=1S/C12H17FN4O2/c13-10-8-14-12(17-2-1-5-19-9-17)15-11(10)16-3-6-18-7-4-16/h8H,1-7,9H2
InChIKeyCTEHRHOJHPTZAR-UHFFFAOYSA-N
XLogP0.64
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 ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-Fluoro-2-morpholin-4-ylpyrimidin-4-yl)morpholine
CID 616971
4-[5-Bromo-4-(1-piperidinyl)-2-pyrimidinyl]morpholine
CID 888822
4-(5-Bromo-2-piperidin-1-ylpyrimidin-4-yl)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-{[5-Fluoro-2-(4-morpholinyl)-4-pyrimidinyl]amino}ethanol
CID 1945080
4-(6-Morpholin-4-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine
CID 56880198
2-Butoxy-5-fluoro-4-piperidin-1-ylpyrimidine
CID 174668818
5-Fluoro-2,4-di(piperidin-1-yl)pyrimidine
CID 677821
4-[2-(4-Pyrimidin-4-ylpiperazin-1-yl)ethyl]morpholine
CID 72867087
4-(2-Morpholin-4-ylpyrimidin-4-yl)morpholine
CID 239978

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazinane?
The IUPAC name of 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazinane (CID 3479212) is 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazinane.
What is the SMILES notation for 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazinane?
The canonical SMILES for 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazinane is Fc1cnc(N2CCCOC2)nc1N1CCOCC1.
What is the InChIKey of 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazinane?
The InChIKey is CTEHRHOJHPTZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O2/c13-10-8-14-12(17-2-1-5-19-9-17)15-11(10)16-3-6-18-7-4-16/h8H,1-7,9H2.
What are the key properties of 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazinane?
3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazinane has a molecular weight of 268.29 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazinane is sourced from PubChem (CID 3479212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).