4-[2-chloro-6-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethoxy]-5-fluoropyrimidin-4-yl]morpholine

C15H14ClF3N4O2 — CID 71612925

IUPAC4-[2-chloro-6-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethoxy]-5-fluoropyrimidin-4-yl]morpholine
SMILESC[C@H](Oc1nc(Cl)nc(N2CCOCC2)c1F)c1ncc(F)cc1F
InChIInChI=1S/C15H14ClF3N4O2/c1-8(12-10(18)6-9(17)7-20-12)25-14-11(19)13(21-15(16)22-14)23-2-4-24-5-3-23/h6-8H,2-5H2,1H3/t8-/m0/s1
InChIKeyXBRYYFDTNJXCGT-QMMMGPOBSA-N
MW374.75 g/mol
LogP2.92
Rot. Bonds4

About 4-[2-chloro-6-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethoxy]-5-fluoropyrimidin-4-yl]morpholine

4-[2-chloro-6-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethoxy]-5-fluoropyrimidin-4-yl]morpholine (PubChem CID 71612925) has the molecular formula C15H14ClF3N4O2 and a molecular weight of 374.75 g/mol. Its IUPAC name is 4-[2-chloro-6-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethoxy]-5-fluoropyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-chloro-6-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethoxy]-5-fluoropyrimidin-4-yl]morpholine
PubChem CID71612925
Molecular FormulaC15H14ClF3N4O2
Molecular Weight374.75 g/mol
Exact Mass374.08
IUPAC Name4-[2-chloro-6-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethoxy]-5-fluoropyrimidin-4-yl]morpholine
SMILESC[C@H](Oc1nc(Cl)nc(N2CCOCC2)c1F)c1ncc(F)cc1F
InChIInChI=1S/C15H14ClF3N4O2/c1-8(12-10(18)6-9(17)7-20-12)25-14-11(19)13(21-15(16)22-14)23-2-4-24-5-3-23/h6-8H,2-5H2,1H3/t8-/m0/s1
InChIKeyXBRYYFDTNJXCGT-QMMMGPOBSA-N
XLogP2.92
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.75
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-chloro-6-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethoxy]-5-fluoropyrimidin-4-yl]morpholine with MolForge

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Related Compounds

4-chloro-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-5-fluoro-6-morpholin-4-ylpyrimidin-2-amine
CID 71615708
1-[2-chloro-6-[[2-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]amino]-5-fluoropyrimidin-4-yl]-4-methylpiperidin-4-ol
CID 87758181
2-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)-2-methoxyethyl]-6-morpholin-4-ylpyrimidin-4-amine
CID 87758133
1-(2,4-dichloro-6-morpholin-4-ylpyrimidin-5-yl)oxypropan-2-ol
CID 86711745
2-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-5-fluoro-4-N-(1-methylimidazol-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 46175641
4-N-[1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-5-fluoro-2-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 25103039
2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-4-amine
CID 50993882
4-[4-(4-chlorophenoxy)-3,5,6-trifluoro-2-pyridinyl]morpholine
CID 4524989
4-(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl)morpholine
CID 168922552
4-(5-chloro-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)morpholine
CID 58234939
1-(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)ethanamine
CID 91607698
2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 146469522

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-6-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethoxy]-5-fluoropyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-chloro-6-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethoxy]-5-fluoropyrimidin-4-yl]morpholine (CID 71612925) is 4-[2-chloro-6-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethoxy]-5-fluoropyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-chloro-6-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethoxy]-5-fluoropyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-chloro-6-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethoxy]-5-fluoropyrimidin-4-yl]morpholine is C[C@H](Oc1nc(Cl)nc(N2CCOCC2)c1F)c1ncc(F)cc1F.
What is the InChIKey of 4-[2-chloro-6-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethoxy]-5-fluoropyrimidin-4-yl]morpholine?
The InChIKey is XBRYYFDTNJXCGT-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H14ClF3N4O2/c1-8(12-10(18)6-9(17)7-20-12)25-14-11(19)13(21-15(16)22-14)23-2-4-24-5-3-23/h6-8H,2-5H2,1H3/t8-/m0/s1.
What are the key properties of 4-[2-chloro-6-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethoxy]-5-fluoropyrimidin-4-yl]morpholine?
4-[2-chloro-6-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethoxy]-5-fluoropyrimidin-4-yl]morpholine has a molecular weight of 374.75 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-6-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethoxy]-5-fluoropyrimidin-4-yl]morpholine is sourced from PubChem (CID 71612925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).