(5S)-4-(2,6-dimethylpyrimidin-4-yl)-5-ethyl-2,2-dimethylmorpholine

C14H23N3O — CID 164636944

IUPAC(5S)-4-(2,6-dimethylpyrimidin-4-yl)-5-ethyl-2,2-dimethylmorpholine
SMILESCC[C@H]1COC(C)(C)CN1c1cc(C)nc(C)n1
InChIInChI=1S/C14H23N3O/c1-6-12-8-18-14(4,5)9-17(12)13-7-10(2)15-11(3)16-13/h7,12H,6,8-9H2,1-5H3/t12-/m0/s1
InChIKeyIHUZFKVZZSMFON-LBPRGKRZSA-N
MW249.36 g/mol
LogP2.49
Rot. Bonds2

About (5S)-4-(2,6-dimethylpyrimidin-4-yl)-5-ethyl-2,2-dimethylmorpholine

(5S)-4-(2,6-dimethylpyrimidin-4-yl)-5-ethyl-2,2-dimethylmorpholine (PubChem CID 164636944) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (5S)-4-(2,6-dimethylpyrimidin-4-yl)-5-ethyl-2,2-dimethylmorpholine.

Molecular Properties

Compound Name(5S)-4-(2,6-dimethylpyrimidin-4-yl)-5-ethyl-2,2-dimethylmorpholine
PubChem CID164636944
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(5S)-4-(2,6-dimethylpyrimidin-4-yl)-5-ethyl-2,2-dimethylmorpholine
SMILESCC[C@H]1COC(C)(C)CN1c1cc(C)nc(C)n1
InChIInChI=1S/C14H23N3O/c1-6-12-8-18-14(4,5)9-17(12)13-7-10(2)15-11(3)16-13/h7,12H,6,8-9H2,1-5H3/t12-/m0/s1
InChIKeyIHUZFKVZZSMFON-LBPRGKRZSA-N
XLogP2.49
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-4-(2,6-dimethylpyrimidin-4-yl)-5-ethyl-2,2-dimethylmorpholine?
The IUPAC name of (5S)-4-(2,6-dimethylpyrimidin-4-yl)-5-ethyl-2,2-dimethylmorpholine (CID 164636944) is (5S)-4-(2,6-dimethylpyrimidin-4-yl)-5-ethyl-2,2-dimethylmorpholine.
What is the SMILES notation for (5S)-4-(2,6-dimethylpyrimidin-4-yl)-5-ethyl-2,2-dimethylmorpholine?
The canonical SMILES for (5S)-4-(2,6-dimethylpyrimidin-4-yl)-5-ethyl-2,2-dimethylmorpholine is CC[C@H]1COC(C)(C)CN1c1cc(C)nc(C)n1.
What is the InChIKey of (5S)-4-(2,6-dimethylpyrimidin-4-yl)-5-ethyl-2,2-dimethylmorpholine?
The InChIKey is IHUZFKVZZSMFON-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N3O/c1-6-12-8-18-14(4,5)9-17(12)13-7-10(2)15-11(3)16-13/h7,12H,6,8-9H2,1-5H3/t12-/m0/s1.
What are the key properties of (5S)-4-(2,6-dimethylpyrimidin-4-yl)-5-ethyl-2,2-dimethylmorpholine?
(5S)-4-(2,6-dimethylpyrimidin-4-yl)-5-ethyl-2,2-dimethylmorpholine has a molecular weight of 249.36 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-(2,6-dimethylpyrimidin-4-yl)-5-ethyl-2,2-dimethylmorpholine is sourced from PubChem (CID 164636944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).