4-[6-chloro-2-(3,3-difluorocyclopentyl)oxypyrimidin-4-yl]morpholine

C13H16ClF2N3O2 — CID 162691506

IUPAC4-[6-chloro-2-(3,3-difluorocyclopentyl)oxypyrimidin-4-yl]morpholine
SMILESFC1(F)CCC(Oc2nc(Cl)cc(N3CCOCC3)n2)C1
InChIInChI=1S/C13H16ClF2N3O2/c14-10-7-11(19-3-5-20-6-4-19)18-12(17-10)21-9-1-2-13(15,16)8-9/h7,9H,1-6,8H2
InChIKeyYWGAZNWGNUVTPT-UHFFFAOYSA-N
MW319.74 g/mol
LogP2.53
Rot. Bonds3

About 4-[6-chloro-2-(3,3-difluorocyclopentyl)oxypyrimidin-4-yl]morpholine

4-[6-chloro-2-(3,3-difluorocyclopentyl)oxypyrimidin-4-yl]morpholine (PubChem CID 162691506) has the molecular formula C13H16ClF2N3O2 and a molecular weight of 319.74 g/mol. Its IUPAC name is 4-[6-chloro-2-(3,3-difluorocyclopentyl)oxypyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-chloro-2-(3,3-difluorocyclopentyl)oxypyrimidin-4-yl]morpholine
PubChem CID162691506
Molecular FormulaC13H16ClF2N3O2
Molecular Weight319.74 g/mol
Exact Mass319.09
IUPAC Name4-[6-chloro-2-(3,3-difluorocyclopentyl)oxypyrimidin-4-yl]morpholine
SMILESFC1(F)CCC(Oc2nc(Cl)cc(N3CCOCC3)n2)C1
InChIInChI=1S/C13H16ClF2N3O2/c14-10-7-11(19-3-5-20-6-4-19)18-12(17-10)21-9-1-2-13(15,16)8-9/h7,9H,1-6,8H2
InChIKeyYWGAZNWGNUVTPT-UHFFFAOYSA-N
XLogP2.53
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.74
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Chloro-6-(morpholin-4-yl)pyrimidin-2-amine
CID 1484288
4-chloro-N,N-dimethyl-6-morpholino-2-pyrimidinamine
CID 3424209
4-(2,6-Dichloropyrimidin-4-yl)morpholine
CID 11586699
4,4'-(6-Chloropyrimidine-2,4-diyl)dimorpholine
CID 686334
4-(6-Chloro-2-trifluoromethylpyrimidin-4-yl)morpholine
CID 46738256
[4-Chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-yl] trifluoromethanesulfonate
CID 87134571
(1S,4S)-5-(6-chloro-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 117688550
(3R)-4-[4-chloro-6-(3,3-difluoroazetidin-1-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 132005438
4-[4-Chloro-6-(3,3-difluoroazetidin-1-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 132008315
4-[4-Chloro-6-(3,3-difluoroazetidin-1-yl)pyrimidin-2-yl]morpholine
CID 132008321
4-[4-Chloro-6-(3-fluoroazetidin-1-yl)pyrimidin-2-yl]morpholine
CID 132023375
4-[4-Chloro-6-(3-fluoro-3-methylazetidin-1-yl)pyrimidin-2-yl]morpholine
CID 132025294

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-2-(3,3-difluorocyclopentyl)oxypyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-chloro-2-(3,3-difluorocyclopentyl)oxypyrimidin-4-yl]morpholine (CID 162691506) is 4-[6-chloro-2-(3,3-difluorocyclopentyl)oxypyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-chloro-2-(3,3-difluorocyclopentyl)oxypyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-chloro-2-(3,3-difluorocyclopentyl)oxypyrimidin-4-yl]morpholine is FC1(F)CCC(Oc2nc(Cl)cc(N3CCOCC3)n2)C1.
What is the InChIKey of 4-[6-chloro-2-(3,3-difluorocyclopentyl)oxypyrimidin-4-yl]morpholine?
The InChIKey is YWGAZNWGNUVTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF2N3O2/c14-10-7-11(19-3-5-20-6-4-19)18-12(17-10)21-9-1-2-13(15,16)8-9/h7,9H,1-6,8H2.
What are the key properties of 4-[6-chloro-2-(3,3-difluorocyclopentyl)oxypyrimidin-4-yl]morpholine?
4-[6-chloro-2-(3,3-difluorocyclopentyl)oxypyrimidin-4-yl]morpholine has a molecular weight of 319.74 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-2-(3,3-difluorocyclopentyl)oxypyrimidin-4-yl]morpholine is sourced from PubChem (CID 162691506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).