(2R,6S)-4-[[(2S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine

C17H27FN4O — CID 99714419

IUPAC(2R,6S)-4-[[(2S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine
SMILESCCc1ncnc(N2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1F
InChIInChI=1S/C17H27FN4O/c1-4-15-16(18)17(20-11-19-15)22-7-5-6-14(22)10-21-8-12(2)23-13(3)9-21/h11-14H,4-10H2,1-3H3/t12-,13+,14-/m0/s1
InChIKeySLOQPOMNVGOCFV-MJBXVCDLSA-N
MW322.43 g/mol
LogP2.26
Rot. Bonds4

About (2R,6S)-4-[[(2S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine

(2R,6S)-4-[[(2S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine (PubChem CID 99714419) has the molecular formula C17H27FN4O and a molecular weight of 322.43 g/mol. Its IUPAC name is (2R,6S)-4-[[(2S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-[[(2S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine
PubChem CID99714419
Molecular FormulaC17H27FN4O
Molecular Weight322.43 g/mol
Exact Mass322.22
IUPAC Name(2R,6S)-4-[[(2S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine
SMILESCCc1ncnc(N2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1F
InChIInChI=1S/C17H27FN4O/c1-4-15-16(18)17(20-11-19-15)22-7-5-6-14(22)10-21-8-12(2)23-13(3)9-21/h11-14H,4-10H2,1-3H3/t12-,13+,14-/m0/s1
InChIKeySLOQPOMNVGOCFV-MJBXVCDLSA-N
XLogP2.26
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[[(2S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-[[(2S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine (CID 99714419) is (2R,6S)-4-[[(2S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-[[(2S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-[[(2S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine is CCc1ncnc(N2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1F.
What is the InChIKey of (2R,6S)-4-[[(2S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine?
The InChIKey is SLOQPOMNVGOCFV-MJBXVCDLSA-N. The full InChI is InChI=1S/C17H27FN4O/c1-4-15-16(18)17(20-11-19-15)22-7-5-6-14(22)10-21-8-12(2)23-13(3)9-21/h11-14H,4-10H2,1-3H3/t12-,13+,14-/m0/s1.
What are the key properties of (2R,6S)-4-[[(2S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine?
(2R,6S)-4-[[(2S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine has a molecular weight of 322.43 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[[(2S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 99714419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).