4-[[5,6-dimethyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine

C22H24N6OS2 — CID 24566190

IUPAC4-[[5,6-dimethyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
SMILESCc1sc2nc(CN3CCOCC3)nc(Sc3nnc(-c4ccccc4)n3C)c2c1C
InChIInChI=1S/C22H24N6OS2/c1-14-15(2)30-20-18(14)21(24-17(23-20)13-28-9-11-29-12-10-28)31-22-26-25-19(27(22)3)16-7-5-4-6-8-16/h4-8H,9-13H2,1-3H3
InChIKeyDOIDYMUAJJIFJO-UHFFFAOYSA-N
MW452.61 g/mol
LogP4.09
Rot. Bonds5

About 4-[[5,6-dimethyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine

4-[[5,6-dimethyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine (PubChem CID 24566190) has the molecular formula C22H24N6OS2 and a molecular weight of 452.61 g/mol. Its IUPAC name is 4-[[5,6-dimethyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5,6-dimethyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
PubChem CID24566190
Molecular FormulaC22H24N6OS2
Molecular Weight452.61 g/mol
Exact Mass452.15
IUPAC Name4-[[5,6-dimethyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
SMILESCc1sc2nc(CN3CCOCC3)nc(Sc3nnc(-c4ccccc4)n3C)c2c1C
InChIInChI=1S/C22H24N6OS2/c1-14-15(2)30-20-18(14)21(24-17(23-20)13-28-9-11-29-12-10-28)31-22-26-25-19(27(22)3)16-7-5-4-6-8-16/h4-8H,9-13H2,1-3H3
InChIKeyDOIDYMUAJJIFJO-UHFFFAOYSA-N
XLogP4.09
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.61
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[[5,6-dimethyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine with MolForge

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Related Compounds

2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-3-propylquinazolin-4-one
CID 26441666
4-[[5,6-dimethyl-4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 17454543
4-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-phenylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 4788374
4-[[5,6-dimethyl-4-(2-morpholin-4-ylethylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 133408485
2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 9022960
4-[[4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 43036364
4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 2561349
2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 4817620
N'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 18075011
4-[[5,6-dimethyl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 43022327
N,5,6-trimethyl-N-[(2-methylphenyl)methyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 18079574
N-cyclopropyl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9281746

Frequently Asked Questions

What is the IUPAC name of 4-[[5,6-dimethyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine?
The IUPAC name of 4-[[5,6-dimethyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine (CID 24566190) is 4-[[5,6-dimethyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5,6-dimethyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[5,6-dimethyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine is Cc1sc2nc(CN3CCOCC3)nc(Sc3nnc(-c4ccccc4)n3C)c2c1C.
What is the InChIKey of 4-[[5,6-dimethyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine?
The InChIKey is DOIDYMUAJJIFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6OS2/c1-14-15(2)30-20-18(14)21(24-17(23-20)13-28-9-11-29-12-10-28)31-22-26-25-19(27(22)3)16-7-5-4-6-8-16/h4-8H,9-13H2,1-3H3.
What are the key properties of 4-[[5,6-dimethyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine?
4-[[5,6-dimethyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine has a molecular weight of 452.61 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5,6-dimethyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine is sourced from PubChem (CID 24566190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).