2-(2-tert-butyl-6-methylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine

C14H16N6S — CID 56793772

IUPAC2-(2-tert-butyl-6-methylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(Sc2nc3ncccn3n2)nc(C(C)(C)C)n1
InChIInChI=1S/C14H16N6S/c1-9-8-10(17-11(16-9)14(2,3)4)21-13-18-12-15-6-5-7-20(12)19-13/h5-8H,1-4H3
InChIKeyCXHGAWPLQXJANA-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.67
Rot. Bonds2

About 2-(2-tert-butyl-6-methylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine

2-(2-tert-butyl-6-methylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 56793772) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is 2-(2-tert-butyl-6-methylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(2-tert-butyl-6-methylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID56793772
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC Name2-(2-tert-butyl-6-methylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(Sc2nc3ncccn3n2)nc(C(C)(C)C)n1
InChIInChI=1S/C14H16N6S/c1-9-8-10(17-11(16-9)14(2,3)4)21-13-18-12-15-6-5-7-20(12)19-13/h5-8H,1-4H3
InChIKeyCXHGAWPLQXJANA-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-methyl-2-nitrophenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 71971846
2-[(5-nitro-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 16618002
8-methyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)quinazoline
CID 75429679
2-(tribromomethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 150537386
(2R)-1-(4-tert-butylphenyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propan-1-one
CID 41351728
2-prop-2-enylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 51111566
ethane;[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 90849643
2-(2-phenylethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 134010697
2-[2-(2-fluorophenoxy)ethylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 47134889
2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine
CID 80963065
N-[1-(4-tert-butylphenyl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824657
2-pyridin-4-yl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)quinazoline
CID 24626644

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-6-methylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(2-tert-butyl-6-methylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 56793772) is 2-(2-tert-butyl-6-methylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(2-tert-butyl-6-methylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(2-tert-butyl-6-methylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(Sc2nc3ncccn3n2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-(2-tert-butyl-6-methylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is CXHGAWPLQXJANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S/c1-9-8-10(17-11(16-9)14(2,3)4)21-13-18-12-15-6-5-7-20(12)19-13/h5-8H,1-4H3.
What are the key properties of 2-(2-tert-butyl-6-methylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
2-(2-tert-butyl-6-methylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 300.39 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-6-methylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 56793772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).