(2S,6R)-2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine

C19H20N4OS — CID 99716093

IUPAC(2S,6R)-2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine
SMILESCc1cc(N2C[C@@H](c3ccsc3)O[C@@H](C)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C19H20N4OS/c1-13-9-18(22-19(21-13)15-3-6-20-7-4-15)23-10-14(2)24-17(11-23)16-5-8-25-12-16/h3-9,12,14,17H,10-11H2,1-2H3/t14-,17-/m0/s1
InChIKeyHBXZVEXSRSCDLG-YOEHRIQHSA-N
MW352.46 g/mol
LogP3.87
Rot. Bonds3

About (2S,6R)-2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine

(2S,6R)-2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine (PubChem CID 99716093) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is (2S,6R)-2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine.

Molecular Properties

Compound Name(2S,6R)-2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine
PubChem CID99716093
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name(2S,6R)-2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine
SMILESCc1cc(N2C[C@@H](c3ccsc3)O[C@@H](C)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C19H20N4OS/c1-13-9-18(22-19(21-13)15-3-6-20-7-4-15)23-10-14(2)24-17(11-23)16-5-8-25-12-16/h3-9,12,14,17H,10-11H2,1-2H3/t14-,17-/m0/s1
InChIKeyHBXZVEXSRSCDLG-YOEHRIQHSA-N
XLogP3.87
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S,6R)-2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine 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-(2,6-dimethylpyrimidin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine
CID 133379218
2-methyl-4-(6-methylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine
CID 133379222
2-methyl-4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6-thiophen-3-ylmorpholine
CID 133379383
6-[(2S,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]pyrimidine-4-carbonitrile
CID 99778550
(2S,6R)-4-(5-fluoro-2-pyridinyl)-2-methyl-6-thiophen-3-ylmorpholine
CID 124851478
2-methyl-4-(6-methylsulfanylpyridazin-3-yl)-6-thiophen-3-ylmorpholine
CID 133379191
4-(6-ethoxypyrimidin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine
CID 133490501
(2S,6S)-2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-6-thiophen-3-ylmorpholine
CID 99107655
4-[(2R,4S)-2,4-dimethylpyrrolidin-1-yl]-6-methyl-2-pyridin-4-ylpyrimidine
CID 98772391
[2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133379329
2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pyridine-3-sulfonamide
CID 133379318
2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133379346

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine?
The IUPAC name of (2S,6R)-2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine (CID 99716093) is (2S,6R)-2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine.
What is the SMILES notation for (2S,6R)-2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine?
The canonical SMILES for (2S,6R)-2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine is Cc1cc(N2C[C@@H](c3ccsc3)O[C@@H](C)C2)nc(-c2ccncc2)n1.
What is the InChIKey of (2S,6R)-2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine?
The InChIKey is HBXZVEXSRSCDLG-YOEHRIQHSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-13-9-18(22-19(21-13)15-3-6-20-7-4-15)23-10-14(2)24-17(11-23)16-5-8-25-12-16/h3-9,12,14,17H,10-11H2,1-2H3/t14-,17-/m0/s1.
What are the key properties of (2S,6R)-2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine?
(2S,6R)-2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine has a molecular weight of 352.46 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine is sourced from PubChem (CID 99716093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).