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

C19H20N6OS — CID 2442310

IUPAC4-[[4-(benzotriazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
SMILESCc1sc2nc(CN3CCOCC3)nc(-n3nnc4ccccc43)c2c1C
InChIInChI=1S/C19H20N6OS/c1-12-13(2)27-19-17(12)18(25-15-6-4-3-5-14(15)22-23-25)20-16(21-19)11-24-7-9-26-10-8-24/h3-6H,7-11H2,1-2H3
InChIKeyQFZSJRSOVUOBGM-UHFFFAOYSA-N
MW380.48 g/mol
LogP2.87
Rot. Bonds3

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

4-[[4-(benzotriazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine (PubChem CID 2442310) has the molecular formula C19H20N6OS and a molecular weight of 380.48 g/mol. Its IUPAC name is 4-[[4-(benzotriazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-(benzotriazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
PubChem CID2442310
Molecular FormulaC19H20N6OS
Molecular Weight380.48 g/mol
Exact Mass380.14
IUPAC Name4-[[4-(benzotriazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
SMILESCc1sc2nc(CN3CCOCC3)nc(-n3nnc4ccccc43)c2c1C
InChIInChI=1S/C19H20N6OS/c1-12-13(2)27-19-17(12)18(25-15-6-4-3-5-14(15)22-23-25)20-16(21-19)11-24-7-9-26-10-8-24/h3-6H,7-11H2,1-2H3
InChIKeyQFZSJRSOVUOBGM-UHFFFAOYSA-N
XLogP2.87
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(benzotriazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine?
The IUPAC name of 4-[[4-(benzotriazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine (CID 2442310) is 4-[[4-(benzotriazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-(benzotriazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-(benzotriazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine is Cc1sc2nc(CN3CCOCC3)nc(-n3nnc4ccccc43)c2c1C.
What is the InChIKey of 4-[[4-(benzotriazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine?
The InChIKey is QFZSJRSOVUOBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6OS/c1-12-13(2)27-19-17(12)18(25-15-6-4-3-5-14(15)22-23-25)20-16(21-19)11-24-7-9-26-10-8-24/h3-6H,7-11H2,1-2H3.
What are the key properties of 4-[[4-(benzotriazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine?
4-[[4-(benzotriazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine has a molecular weight of 380.48 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(benzotriazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine is sourced from PubChem (CID 2442310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).