(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

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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).