4-[4-(7-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]morpholine

C15H17N7OS — CID 47000831

IUPAC4-[4-(7-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]morpholine
SMILESCSc1nc2ncc(-c3ccnc(N4CCOCC4)n3)c(C)n2n1
InChIInChI=1S/C15H17N7OS/c1-10-11(9-17-14-19-15(24-2)20-22(10)14)12-3-4-16-13(18-12)21-5-7-23-8-6-21/h3-4,9H,5-8H2,1-2H3
InChIKeyVIMLUVJMVYXOOQ-UHFFFAOYSA-N
MW343.42 g/mol
LogP1.45
Rot. Bonds3

About 4-[4-(7-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]morpholine

4-[4-(7-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]morpholine (PubChem CID 47000831) has the molecular formula C15H17N7OS and a molecular weight of 343.42 g/mol. Its IUPAC name is 4-[4-(7-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(7-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]morpholine
PubChem CID47000831
Molecular FormulaC15H17N7OS
Molecular Weight343.42 g/mol
Exact Mass343.12
IUPAC Name4-[4-(7-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]morpholine
SMILESCSc1nc2ncc(-c3ccnc(N4CCOCC4)n3)c(C)n2n1
InChIInChI=1S/C15H17N7OS/c1-10-11(9-17-14-19-15(24-2)20-22(10)14)12-3-4-16-13(18-12)21-5-7-23-8-6-21/h3-4,9H,5-8H2,1-2H3
InChIKeyVIMLUVJMVYXOOQ-UHFFFAOYSA-N
XLogP1.45
TPSA81.33 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-[4-(2-ethylsulfanyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]morpholine
CID 50741376
2-[[7-methyl-6-(2-pyrrolidin-1-ylpyrimidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]acetonitrile
CID 50741207
6-[2-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2-benzylsulfanyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 50741232
6-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 50741270
3-[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine
CID 66499272
7-methyl-6-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 50741291
5-(2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 59507833
6-[2-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66508242
4-(4-thiophen-2-ylpyrimidin-2-yl)morpholine
CID 66493934
7-methyl-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 71563681
4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
N,N-diethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112886592

Frequently Asked Questions

What is the IUPAC name of 4-[4-(7-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-(7-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]morpholine (CID 47000831) is 4-[4-(7-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(7-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-(7-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]morpholine is CSc1nc2ncc(-c3ccnc(N4CCOCC4)n3)c(C)n2n1.
What is the InChIKey of 4-[4-(7-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]morpholine?
The InChIKey is VIMLUVJMVYXOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7OS/c1-10-11(9-17-14-19-15(24-2)20-22(10)14)12-3-4-16-13(18-12)21-5-7-23-8-6-21/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 4-[4-(7-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]morpholine?
4-[4-(7-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]morpholine has a molecular weight of 343.42 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(7-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 47000831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).