2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine

C20H20N6OS — CID 133374883

IUPAC2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine
SMILESCCc1nc(C2CN(c3ncnc4sc(-c5ccccc5)cc34)CCO2)n[nH]1
InChIInChI=1S/C20H20N6OS/c1-2-17-23-18(25-24-17)15-11-26(8-9-27-15)19-14-10-16(13-6-4-3-5-7-13)28-20(14)22-12-21-19/h3-7,10,12,15H,2,8-9,11H2,1H3,(H,23,24,25)
InChIKeyGLEKHNJCKHVCMZ-UHFFFAOYSA-N
MW392.49 g/mol
LogP3.62
Rot. Bonds4

About 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine

2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine (PubChem CID 133374883) has the molecular formula C20H20N6OS and a molecular weight of 392.49 g/mol. Its IUPAC name is 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine
PubChem CID133374883
Molecular FormulaC20H20N6OS
Molecular Weight392.49 g/mol
Exact Mass392.14
IUPAC Name2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine
SMILESCCc1nc(C2CN(c3ncnc4sc(-c5ccccc5)cc34)CCO2)n[nH]1
InChIInChI=1S/C20H20N6OS/c1-2-17-23-18(25-24-17)15-11-26(8-9-27-15)19-14-10-16(13-6-4-3-5-7-13)28-20(14)22-12-21-19/h3-7,10,12,15H,2,8-9,11H2,1H3,(H,23,24,25)
InChIKeyGLEKHNJCKHVCMZ-UHFFFAOYSA-N
XLogP3.62
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine?
The IUPAC name of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine (CID 133374883) is 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine is CCc1nc(C2CN(c3ncnc4sc(-c5ccccc5)cc34)CCO2)n[nH]1.
What is the InChIKey of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine?
The InChIKey is GLEKHNJCKHVCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6OS/c1-2-17-23-18(25-24-17)15-11-26(8-9-27-15)19-14-10-16(13-6-4-3-5-7-13)28-20(14)22-12-21-19/h3-7,10,12,15H,2,8-9,11H2,1H3,(H,23,24,25).
What are the key properties of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine?
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine has a molecular weight of 392.49 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 133374883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).