2-[[5,7-dimethyl-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide

C24H32N6O2S — CID 53230271

IUPAC2-[[5,7-dimethyl-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1ccc(Cc2c(C)nc3nc(SCC(=O)N(C)CCN4CCOCC4)nn3c2C)cc1
InChIInChI=1S/C24H32N6O2S/c1-17-5-7-20(8-6-17)15-21-18(2)25-23-26-24(27-30(23)19(21)3)33-16-22(31)28(4)9-10-29-11-13-32-14-12-29/h5-8H,9-16H2,1-4H3
InChIKeyNCQKSMBQVJYDMX-UHFFFAOYSA-N
MW468.63 g/mol
LogP2.52
Rot. Bonds8

About 2-[[5,7-dimethyl-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide

2-[[5,7-dimethyl-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 53230271) has the molecular formula C24H32N6O2S and a molecular weight of 468.63 g/mol. Its IUPAC name is 2-[[5,7-dimethyl-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[[5,7-dimethyl-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID53230271
Molecular FormulaC24H32N6O2S
Molecular Weight468.63 g/mol
Exact Mass468.23
IUPAC Name2-[[5,7-dimethyl-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1ccc(Cc2c(C)nc3nc(SCC(=O)N(C)CCN4CCOCC4)nn3c2C)cc1
InChIInChI=1S/C24H32N6O2S/c1-17-5-7-20(8-6-17)15-21-18(2)25-23-26-24(27-30(23)19(21)3)33-16-22(31)28(4)9-10-29-11-13-32-14-12-29/h5-8H,9-16H2,1-4H3
InChIKeyNCQKSMBQVJYDMX-UHFFFAOYSA-N
XLogP2.52
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.63
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[5,7-dimethyl-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[5,7-dimethyl-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[[5,7-dimethyl-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide (CID 53230271) is 2-[[5,7-dimethyl-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[[5,7-dimethyl-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[[5,7-dimethyl-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide is Cc1ccc(Cc2c(C)nc3nc(SCC(=O)N(C)CCN4CCOCC4)nn3c2C)cc1.
What is the InChIKey of 2-[[5,7-dimethyl-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is NCQKSMBQVJYDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2S/c1-17-5-7-20(8-6-17)15-21-18(2)25-23-26-24(27-30(23)19(21)3)33-16-22(31)28(4)9-10-29-11-13-32-14-12-29/h5-8H,9-16H2,1-4H3.
What are the key properties of 2-[[5,7-dimethyl-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide?
2-[[5,7-dimethyl-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 468.63 g/mol, XLogP of 2.52, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5,7-dimethyl-6-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]-N-methyl-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 53230271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).