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

C15H18N6OS — CID 129006956

IUPAC4-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
SMILESCc1nc(N2CCOC(c3nncn3C)C2)c2c(C)csc2n1
InChIInChI=1S/C15H18N6OS/c1-9-7-23-15-12(9)14(17-10(2)18-15)21-4-5-22-11(6-21)13-19-16-8-20(13)3/h7-8,11H,4-6H2,1-3H3
InChIKeyYSOPRNPVHMUDLF-UHFFFAOYSA-N
MW330.42 g/mol
LogP2.01
Rot. Bonds2

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

4-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine (PubChem CID 129006956) has the molecular formula C15H18N6OS and a molecular weight of 330.42 g/mol. Its IUPAC name is 4-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name4-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
PubChem CID129006956
Molecular FormulaC15H18N6OS
Molecular Weight330.42 g/mol
Exact Mass330.13
IUPAC Name4-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
SMILESCc1nc(N2CCOC(c3nncn3C)C2)c2c(C)csc2n1
InChIInChI=1S/C15H18N6OS/c1-9-7-23-15-12(9)14(17-10(2)18-15)21-4-5-22-11(6-21)13-19-16-8-20(13)3/h7-8,11H,4-6H2,1-3H3
InChIKeyYSOPRNPVHMUDLF-UHFFFAOYSA-N
XLogP2.01
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of 4-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine (CID 129006956) is 4-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for 4-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for 4-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine is Cc1nc(N2CCOC(c3nncn3C)C2)c2c(C)csc2n1.
What is the InChIKey of 4-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
The InChIKey is YSOPRNPVHMUDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6OS/c1-9-7-23-15-12(9)14(17-10(2)18-15)21-4-5-22-11(6-21)13-19-16-8-20(13)3/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 4-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
4-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine has a molecular weight of 330.42 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 129006956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).