(2R,6R)-2,6-dimethyl-4-[4-(1-methylimidazol-2-yl)-5-thiophen-2-ylpyrimidin-2-yl]morpholine

C18H21N5OS — CID 95803035

IUPAC(2R,6R)-2,6-dimethyl-4-[4-(1-methylimidazol-2-yl)-5-thiophen-2-ylpyrimidin-2-yl]morpholine
SMILESC[C@@H]1CN(c2ncc(-c3cccs3)c(-c3nccn3C)n2)C[C@@H](C)O1
InChIInChI=1S/C18H21N5OS/c1-12-10-23(11-13(2)24-12)18-20-9-14(15-5-4-8-25-15)16(21-18)17-19-6-7-22(17)3/h4-9,12-13H,10-11H2,1-3H3/t12-,13-/m1/s1
InChIKeyPEINKBXQWDABCW-CHWSQXEVSA-N
MW355.47 g/mol
LogP3.22
Rot. Bonds3

About (2R,6R)-2,6-dimethyl-4-[4-(1-methylimidazol-2-yl)-5-thiophen-2-ylpyrimidin-2-yl]morpholine

(2R,6R)-2,6-dimethyl-4-[4-(1-methylimidazol-2-yl)-5-thiophen-2-ylpyrimidin-2-yl]morpholine (PubChem CID 95803035) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is (2R,6R)-2,6-dimethyl-4-[4-(1-methylimidazol-2-yl)-5-thiophen-2-ylpyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name(2R,6R)-2,6-dimethyl-4-[4-(1-methylimidazol-2-yl)-5-thiophen-2-ylpyrimidin-2-yl]morpholine
PubChem CID95803035
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name(2R,6R)-2,6-dimethyl-4-[4-(1-methylimidazol-2-yl)-5-thiophen-2-ylpyrimidin-2-yl]morpholine
SMILESC[C@@H]1CN(c2ncc(-c3cccs3)c(-c3nccn3C)n2)C[C@@H](C)O1
InChIInChI=1S/C18H21N5OS/c1-12-10-23(11-13(2)24-12)18-20-9-14(15-5-4-8-25-15)16(21-18)17-19-6-7-22(17)3/h4-9,12-13H,10-11H2,1-3H3/t12-,13-/m1/s1
InChIKeyPEINKBXQWDABCW-CHWSQXEVSA-N
XLogP3.22
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2R,6R)-2,6-dimethyl-4-[4-(1-methylimidazol-2-yl)-5-thiophen-2-ylpyrimidin-2-yl]morpholine with MolForge

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Related Compounds

5-(1-methylimidazol-2-yl)-2-(3-methylpiperidin-1-yl)-4-thiophen-2-ylpyrimidine
CID 110220898
4-[5-(2,6-dimethoxypyrimidin-4-yl)-4-thiophen-2-ylpyrimidin-2-yl]-2,6-dimethylmorpholine
CID 110237360
5-(1-methylimidazol-2-yl)-2-(4-propylpiperazin-1-yl)-4-thiophen-2-ylpyrimidine;hydrochloride
CID 171667170
1-[5-(1-methylimidazol-2-yl)-4-thiophen-2-ylpyrimidin-2-yl]piperidine-4-carboxamide
CID 95801634
5-(2-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-(3-methylpiperidin-1-yl)pyrimidine
CID 46951518
4-(1-methylimidazol-2-yl)-5-thiophen-2-yl-1,3-thiazol-2-amine
CID 82106952
5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-pyrrolidin-1-ylpyrimidine
CID 92567481
(2R,6S)-4-[5-(2,3-dimethyl-4-pyridinyl)-4-(2-methylfuran-3-yl)pyrimidin-2-yl]-2,6-dimethylmorpholine
CID 142717581
4-[1-[4-(1,3-thiazol-2-yl)-5-thiophen-2-ylpyrimidin-2-yl]piperidin-4-yl]morpholine
CID 92571549
(2R,6S)-2,6-dimethyl-4-[4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]morpholine;hydrochloride
CID 86702429
1-methyl-2-(3-thiophen-2-ylphenyl)imidazole
CID 59348191
(2R,6S)-4-(5-chloropyrimidin-2-yl)-2,6-dimethylmorpholine
CID 124761431

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2,6-dimethyl-4-[4-(1-methylimidazol-2-yl)-5-thiophen-2-ylpyrimidin-2-yl]morpholine?
The IUPAC name of (2R,6R)-2,6-dimethyl-4-[4-(1-methylimidazol-2-yl)-5-thiophen-2-ylpyrimidin-2-yl]morpholine (CID 95803035) is (2R,6R)-2,6-dimethyl-4-[4-(1-methylimidazol-2-yl)-5-thiophen-2-ylpyrimidin-2-yl]morpholine.
What is the SMILES notation for (2R,6R)-2,6-dimethyl-4-[4-(1-methylimidazol-2-yl)-5-thiophen-2-ylpyrimidin-2-yl]morpholine?
The canonical SMILES for (2R,6R)-2,6-dimethyl-4-[4-(1-methylimidazol-2-yl)-5-thiophen-2-ylpyrimidin-2-yl]morpholine is C[C@@H]1CN(c2ncc(-c3cccs3)c(-c3nccn3C)n2)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-2,6-dimethyl-4-[4-(1-methylimidazol-2-yl)-5-thiophen-2-ylpyrimidin-2-yl]morpholine?
The InChIKey is PEINKBXQWDABCW-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-12-10-23(11-13(2)24-12)18-20-9-14(15-5-4-8-25-15)16(21-18)17-19-6-7-22(17)3/h4-9,12-13H,10-11H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of (2R,6R)-2,6-dimethyl-4-[4-(1-methylimidazol-2-yl)-5-thiophen-2-ylpyrimidin-2-yl]morpholine?
(2R,6R)-2,6-dimethyl-4-[4-(1-methylimidazol-2-yl)-5-thiophen-2-ylpyrimidin-2-yl]morpholine has a molecular weight of 355.47 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2,6-dimethyl-4-[4-(1-methylimidazol-2-yl)-5-thiophen-2-ylpyrimidin-2-yl]morpholine is sourced from PubChem (CID 95803035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).