(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

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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).