(2S,6S)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylmorpholine

C10H13ClFN3O — CID 26368895

IUPAC(2S,6S)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylmorpholine
SMILESC[C@H]1CN(c2nc(Cl)ncc2F)C[C@H](C)O1
InChIInChI=1S/C10H13ClFN3O/c1-6-4-15(5-7(2)16-6)9-8(12)3-13-10(11)14-9/h3,6-7H,4-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyNVLSOKGNEWZLSO-BQBZGAKWSA-N
MW245.68 g/mol
LogP1.88
Rot. Bonds1

About (2S,6S)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylmorpholine

(2S,6S)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylmorpholine (PubChem CID 26368895) has the molecular formula C10H13ClFN3O and a molecular weight of 245.68 g/mol. Its IUPAC name is (2S,6S)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6S)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylmorpholine
PubChem CID26368895
Molecular FormulaC10H13ClFN3O
Molecular Weight245.68 g/mol
Exact Mass245.07
IUPAC Name(2S,6S)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylmorpholine
SMILESC[C@H]1CN(c2nc(Cl)ncc2F)C[C@H](C)O1
InChIInChI=1S/C10H13ClFN3O/c1-6-4-15(5-7(2)16-6)9-8(12)3-13-10(11)14-9/h3,6-7H,4-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyNVLSOKGNEWZLSO-BQBZGAKWSA-N
XLogP1.88
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S,6S)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylmorpholine
CID 79081430
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluoropyrimidin-2-amine
CID 104961834
(2S,6R)-4-(6-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylmorpholine
CID 170774991
(2S,6R)-4-(8-fluoropyrido[3,4-b]pyrazin-5-yl)-2,6-dimethylmorpholine
CID 129240689
2-chloro-4-(4,4-dimethylpiperidin-1-yl)-5-fluoropyrimidine
CID 79081860
2-chloro-4-(2,5-dimethylpiperidin-1-yl)-5-fluoropyrimidine
CID 79076306
2-chloro-5-fluoro-4-piperazin-1-ylpyrimidine
CID 53393355
(2R,6S)-4-(3-fluoro-6-propan-2-yl-2-pyridinyl)-2,6-dimethylmorpholine
CID 176666417
2-chloro-5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidine;ethane
CID 143330280
(2R,6S)-4-(5-chloropyrimidin-2-yl)-2,6-dimethylmorpholine
CID 124761431
4-(3,4-dimethylpyrrolidin-1-yl)-5-fluoropyrimidin-2-amine
CID 80848953
6-(2-chloro-5-fluoropyrimidin-4-yl)-6-azaspiro[3.4]octan-8-one
CID 172608383

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylmorpholine?
The IUPAC name of (2S,6S)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylmorpholine (CID 26368895) is (2S,6S)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6S)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6S)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylmorpholine is C[C@H]1CN(c2nc(Cl)ncc2F)C[C@H](C)O1.
What is the InChIKey of (2S,6S)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylmorpholine?
The InChIKey is NVLSOKGNEWZLSO-BQBZGAKWSA-N. The full InChI is InChI=1S/C10H13ClFN3O/c1-6-4-15(5-7(2)16-6)9-8(12)3-13-10(11)14-9/h3,6-7H,4-5H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of (2S,6S)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylmorpholine?
(2S,6S)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylmorpholine has a molecular weight of 245.68 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylmorpholine is sourced from PubChem (CID 26368895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).