(2R)-4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine

C17H21N5O2S — CID 97187940

IUPAC(2R)-4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine
SMILESCCc1nc(C[C@@H]2CN(c3ncnc4sc(C)c(C)c34)CCO2)no1
InChIInChI=1S/C17H21N5O2S/c1-4-14-20-13(21-24-14)7-12-8-22(5-6-23-12)16-15-10(2)11(3)25-17(15)19-9-18-16/h9,12H,4-8H2,1-3H3/t12-/m1/s1
InChIKeyPORWSWQSTYGKPC-GFCCVEGCSA-N
MW359.46 g/mol
LogP2.70
Rot. Bonds4

About (2R)-4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine

(2R)-4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine (PubChem CID 97187940) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is (2R)-4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name(2R)-4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine
PubChem CID97187940
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Name(2R)-4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine
SMILESCCc1nc(C[C@@H]2CN(c3ncnc4sc(C)c(C)c34)CCO2)no1
InChIInChI=1S/C17H21N5O2S/c1-4-14-20-13(21-24-14)7-12-8-22(5-6-23-12)16-15-10(2)11(3)25-17(15)19-9-18-16/h9,12H,4-8H2,1-3H3/t12-/m1/s1
InChIKeyPORWSWQSTYGKPC-GFCCVEGCSA-N
XLogP2.70
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(bromomethyl)-4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)morpholine
CID 81210775
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carbothioamide
CID 79680495
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 9279863
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 62067433
1-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]ethanamine
CID 103976599
5,6-dimethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 2973940
4-(3-bromopiperidin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80672734
1-[5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120866898
4-(4-bromopiperidin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80673981
2-ethyl-4-(8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-3-yl)morpholine
CID 43055518
4-[4-(bromomethyl)piperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80670146
2-(chloromethyl)-4-(6-methoxy-5-methylpyrimidin-4-yl)morpholine
CID 81210088

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine?
The IUPAC name of (2R)-4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine (CID 97187940) is (2R)-4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine.
What is the SMILES notation for (2R)-4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine?
The canonical SMILES for (2R)-4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine is CCc1nc(C[C@@H]2CN(c3ncnc4sc(C)c(C)c34)CCO2)no1.
What is the InChIKey of (2R)-4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine?
The InChIKey is PORWSWQSTYGKPC-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-4-14-20-13(21-24-14)7-12-8-22(5-6-23-12)16-15-10(2)11(3)25-17(15)19-9-18-16/h9,12H,4-8H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine?
(2R)-4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine has a molecular weight of 359.46 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine is sourced from PubChem (CID 97187940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).