(3S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(2-methyl-1,2,4-triazol-3-yl)morpholine

C13H17FN6O — CID 124729058

IUPAC(3S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(2-methyl-1,2,4-triazol-3-yl)morpholine
SMILESCCc1ncnc(N2CCOC[C@@H]2c2ncnn2C)c1F
InChIInChI=1S/C13H17FN6O/c1-3-9-11(14)13(16-7-15-9)20-4-5-21-6-10(20)12-17-8-18-19(12)2/h7-8,10H,3-6H2,1-2H3/t10-/m1/s1
InChIKeyFQNYYAIYDNXSLX-SNVBAGLBSA-N
MW292.32 g/mol
LogP0.88
Rot. Bonds3

About (3S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(2-methyl-1,2,4-triazol-3-yl)morpholine

(3S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(2-methyl-1,2,4-triazol-3-yl)morpholine (PubChem CID 124729058) has the molecular formula C13H17FN6O and a molecular weight of 292.32 g/mol. Its IUPAC name is (3S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(2-methyl-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name(3S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(2-methyl-1,2,4-triazol-3-yl)morpholine
PubChem CID124729058
Molecular FormulaC13H17FN6O
Molecular Weight292.32 g/mol
Exact Mass292.14
IUPAC Name(3S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(2-methyl-1,2,4-triazol-3-yl)morpholine
SMILESCCc1ncnc(N2CCOC[C@@H]2c2ncnn2C)c1F
InChIInChI=1S/C13H17FN6O/c1-3-9-11(14)13(16-7-15-9)20-4-5-21-6-10(20)12-17-8-18-19(12)2/h7-8,10H,3-6H2,1-2H3/t10-/m1/s1
InChIKeyFQNYYAIYDNXSLX-SNVBAGLBSA-N
XLogP0.88
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(2-methyl-1,2,4-triazol-3-yl)morpholine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(2-methyl-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of (3S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(2-methyl-1,2,4-triazol-3-yl)morpholine (CID 124729058) is (3S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(2-methyl-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for (3S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(2-methyl-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for (3S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(2-methyl-1,2,4-triazol-3-yl)morpholine is CCc1ncnc(N2CCOC[C@@H]2c2ncnn2C)c1F.
What is the InChIKey of (3S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(2-methyl-1,2,4-triazol-3-yl)morpholine?
The InChIKey is FQNYYAIYDNXSLX-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17FN6O/c1-3-9-11(14)13(16-7-15-9)20-4-5-21-6-10(20)12-17-8-18-19(12)2/h7-8,10H,3-6H2,1-2H3/t10-/m1/s1.
What are the key properties of (3S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(2-methyl-1,2,4-triazol-3-yl)morpholine?
(3S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(2-methyl-1,2,4-triazol-3-yl)morpholine has a molecular weight of 292.32 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-3-(2-methyl-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 124729058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).