5,7-dimethyl-2-(2,5,6-trimethylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine

C14H16N6S — CID 122144238

IUPAC5,7-dimethyl-2-(2,5,6-trimethylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(Sc3nc(C)nc(C)c3C)nc2n1
InChIInChI=1S/C14H16N6S/c1-7-6-8(2)20-13(15-7)18-14(19-20)21-12-9(3)10(4)16-11(5)17-12/h6H,1-5H3
InChIKeyKTHCQYHWTTXXFE-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.61
Rot. Bonds2

About 5,7-dimethyl-2-(2,5,6-trimethylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine

5,7-dimethyl-2-(2,5,6-trimethylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 122144238) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is 5,7-dimethyl-2-(2,5,6-trimethylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-2-(2,5,6-trimethylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID122144238
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC Name5,7-dimethyl-2-(2,5,6-trimethylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(Sc3nc(C)nc(C)c3C)nc2n1
InChIInChI=1S/C14H16N6S/c1-7-6-8(2)20-13(15-7)18-14(19-20)21-12-9(3)10(4)16-11(5)17-12/h6H,1-5H3
InChIKeyKTHCQYHWTTXXFE-UHFFFAOYSA-N
XLogP2.61
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5,7-dimethyl-2-(2,5,6-trimethylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

5,7-dimethyl-2-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 12915233
5,7-dimethyl-2-tritylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 16761890
2-bromo-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 854932
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide
CID 4821181
5,7-dimethyl-2-(pyridin-4-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 12915206
5,7-dimethyl-2-[(2-methylphenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 5173536
(4S)-4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]pentan-1-ol
CID 125420364
4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 52558933
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine
CID 82468858
4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-2,5-dimethyl-1,3-oxazole
CID 122154287
5,7-dimethyl-2-(oxolan-3-ylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126803906
N-(4,6-dimethylpyrimidin-2-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
CID 15883017

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-(2,5,6-trimethylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-2-(2,5,6-trimethylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 122144238) is 5,7-dimethyl-2-(2,5,6-trimethylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-2-(2,5,6-trimethylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-2-(2,5,6-trimethylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(C)n2nc(Sc3nc(C)nc(C)c3C)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-(2,5,6-trimethylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is KTHCQYHWTTXXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S/c1-7-6-8(2)20-13(15-7)18-14(19-20)21-12-9(3)10(4)16-11(5)17-12/h6H,1-5H3.
What are the key properties of 5,7-dimethyl-2-(2,5,6-trimethylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-dimethyl-2-(2,5,6-trimethylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 300.39 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-(2,5,6-trimethylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 122144238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).