4-[5-fluoro-2-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidin-4-yl]morpholine

C20H25FN4O — CID 126433720

IUPAC4-[5-fluoro-2-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidin-4-yl]morpholine
SMILESC[C@H](c1ccc(-c2ncc(F)c(N3CCOCC3)n2)cc1)N1CCCC1
InChIInChI=1S/C20H25FN4O/c1-15(24-8-2-3-9-24)16-4-6-17(7-5-16)19-22-14-18(21)20(23-19)25-10-12-26-13-11-25/h4-7,14-15H,2-3,8-13H2,1H3/t15-/m1/s1
InChIKeyAMYCOVSTUPQORY-OAHLLOKOSA-N
MW356.45 g/mol
LogP3.28
Rot. Bonds4

About 4-[5-fluoro-2-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidin-4-yl]morpholine

4-[5-fluoro-2-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidin-4-yl]morpholine (PubChem CID 126433720) has the molecular formula C20H25FN4O and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-[5-fluoro-2-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[5-fluoro-2-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidin-4-yl]morpholine
PubChem CID126433720
Molecular FormulaC20H25FN4O
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC Name4-[5-fluoro-2-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidin-4-yl]morpholine
SMILESC[C@H](c1ccc(-c2ncc(F)c(N3CCOCC3)n2)cc1)N1CCCC1
InChIInChI=1S/C20H25FN4O/c1-15(24-8-2-3-9-24)16-4-6-17(7-5-16)19-22-14-18(21)20(23-19)25-10-12-26-13-11-25/h4-7,14-15H,2-3,8-13H2,1H3/t15-/m1/s1
InChIKeyAMYCOVSTUPQORY-OAHLLOKOSA-N
XLogP3.28
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-2-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine
CID 126453075
4-(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 3631524
4-[(1S)-1-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine
CID 126434299
2-(4-fluorophenyl)-4-morpholin-4-ylpyrimidine-5-carboxylic acid
CID 53214965
4-[[6-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-3-pyridinyl]methyl]morpholine
CID 99944502
[5-fluoro-4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]-2-pyridinyl]methanol
CID 126432860
4-[(1R)-1-[4-(2,6-dimethyl-4-pyridinyl)phenyl]ethyl]morpholine
CID 125442567
4-[(1R)-1-[4-(6-methylpyrazino[2,3-b]pyrazin-2-yl)phenyl]ethyl]morpholine
CID 126441384
4-[5-methoxy-2-[4-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenoxy]phenyl]pyrimidin-4-yl]morpholine
CID 142765179
4-(5-chloro-2-phenylpyrimidin-4-yl)morpholine
CID 121004493
4-(5-methoxy-2-phenylpyrimidin-4-yl)morpholine
CID 3329093
2-chloro-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-methylphenol
CID 137335375

Frequently Asked Questions

What is the IUPAC name of 4-[5-fluoro-2-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[5-fluoro-2-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidin-4-yl]morpholine (CID 126433720) is 4-[5-fluoro-2-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[5-fluoro-2-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[5-fluoro-2-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidin-4-yl]morpholine is C[C@H](c1ccc(-c2ncc(F)c(N3CCOCC3)n2)cc1)N1CCCC1.
What is the InChIKey of 4-[5-fluoro-2-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidin-4-yl]morpholine?
The InChIKey is AMYCOVSTUPQORY-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-15(24-8-2-3-9-24)16-4-6-17(7-5-16)19-22-14-18(21)20(23-19)25-10-12-26-13-11-25/h4-7,14-15H,2-3,8-13H2,1H3/t15-/m1/s1.
What are the key properties of 4-[5-fluoro-2-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidin-4-yl]morpholine?
4-[5-fluoro-2-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidin-4-yl]morpholine has a molecular weight of 356.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-fluoro-2-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 126433720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).