(3S)-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholine

C20H17F3N6OS — CID 124739953

IUPAC(3S)-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholine
SMILESFC(F)(F)Cn1cnc([C@H]2COCCN2c2ncnc3sc(-c4ccccc4)cc23)n1
InChIInChI=1S/C20H17F3N6OS/c21-20(22,23)10-28-12-26-17(27-28)15-9-30-7-6-29(15)18-14-8-16(13-4-2-1-3-5-13)31-19(14)25-11-24-18/h1-5,8,11-12,15H,6-7,9-10H2/t15-/m1/s1
InChIKeyUEMBSCHVTYKAPH-OAHLLOKOSA-N
MW446.46 g/mol
LogP4.09
Rot. Bonds4

About (3S)-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholine

(3S)-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholine (PubChem CID 124739953) has the molecular formula C20H17F3N6OS and a molecular weight of 446.46 g/mol. Its IUPAC name is (3S)-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholine.

Molecular Properties

Compound Name(3S)-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholine
PubChem CID124739953
Molecular FormulaC20H17F3N6OS
Molecular Weight446.46 g/mol
Exact Mass446.11
IUPAC Name(3S)-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholine
SMILESFC(F)(F)Cn1cnc([C@H]2COCCN2c2ncnc3sc(-c4ccccc4)cc23)n1
InChIInChI=1S/C20H17F3N6OS/c21-20(22,23)10-28-12-26-17(27-28)15-9-30-7-6-29(15)18-14-8-16(13-4-2-1-3-5-13)31-19(14)25-11-24-18/h1-5,8,11-12,15H,6-7,9-10H2/t15-/m1/s1
InChIKeyUEMBSCHVTYKAPH-OAHLLOKOSA-N
XLogP4.09
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (3S)-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholine with MolForge

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Related Compounds

(3R)-4-(5-fluoroquinazolin-4-yl)-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholine
CID 124882303
4-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]-6-phenylthieno[2,3-d]pyrimidine
CID 7997116
2,5-dimethyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine
CID 154860690
(2R)-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 28846771
2,6-dimethyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine
CID 3937786
4-(2,3-dihydroindol-1-yl)-6-phenylthieno[2,3-d]pyrimidine
CID 2816831
morpholin-4-yl-[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanone
CID 55500958
1-[(3S)-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholin-4-yl]pentan-1-one
CID 124728437
3-[methyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 133302758
1-[3-methyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol
CID 133498170
3-methyl-4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine
CID 133409128
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine
CID 133374883

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholine?
The IUPAC name of (3S)-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholine (CID 124739953) is (3S)-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholine.
What is the SMILES notation for (3S)-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholine?
The canonical SMILES for (3S)-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholine is FC(F)(F)Cn1cnc([C@H]2COCCN2c2ncnc3sc(-c4ccccc4)cc23)n1.
What is the InChIKey of (3S)-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholine?
The InChIKey is UEMBSCHVTYKAPH-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H17F3N6OS/c21-20(22,23)10-28-12-26-17(27-28)15-9-30-7-6-29(15)18-14-8-16(13-4-2-1-3-5-13)31-19(14)25-11-24-18/h1-5,8,11-12,15H,6-7,9-10H2/t15-/m1/s1.
What are the key properties of (3S)-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholine?
(3S)-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholine has a molecular weight of 446.46 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]morpholine is sourced from PubChem (CID 124739953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).