2-tert-butyl-N,5-dimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine

C13H20N6S — CID 104604881

IUPAC2-tert-butyl-N,5-dimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine
SMILESCNc1nc(C(C)(C)C)nc(Sc2ncnn2C)c1C
InChIInChI=1S/C13H20N6S/c1-8-9(14-5)17-11(13(2,3)4)18-10(8)20-12-15-7-16-19(12)6/h7H,1-6H3,(H,14,17,18)
InChIKeyQGPVIHOTTRNAHN-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.40
Rot. Bonds3

About 2-tert-butyl-N,5-dimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine

2-tert-butyl-N,5-dimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine (PubChem CID 104604881) has the molecular formula C13H20N6S and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-tert-butyl-N,5-dimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N,5-dimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine
PubChem CID104604881
Molecular FormulaC13H20N6S
Molecular Weight292.41 g/mol
Exact Mass292.15
IUPAC Name2-tert-butyl-N,5-dimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine
SMILESCNc1nc(C(C)(C)C)nc(Sc2ncnn2C)c1C
InChIInChI=1S/C13H20N6S/c1-8-9(14-5)17-11(13(2,3)4)18-10(8)20-12-15-7-16-19(12)6/h7H,1-6H3,(H,14,17,18)
InChIKeyQGPVIHOTTRNAHN-UHFFFAOYSA-N
XLogP2.40
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-tert-butyl-N,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
CID 80990005
N-ethyl-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidin-4-amine
CID 104604999
2-tert-butyl-N,5-dimethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 106928408
2-tert-butyl-N,5-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine
CID 80989901
2-tert-butyl-N-ethyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine
CID 80990667
2-chloro-5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine
CID 104603400
4-chloro-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 104603371
methyl 2-[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]sulfanylacetate
CID 80991435
2-tert-butyl-N,5-dimethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 80974722
2-tert-butyl-6-(furan-2-ylmethylsulfanyl)-N,5-dimethylpyrimidin-4-amine
CID 80991282
3-[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol
CID 80994978
2-tert-butyl-N,5-dimethyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 80977826

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N,5-dimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N,5-dimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine (CID 104604881) is 2-tert-butyl-N,5-dimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N,5-dimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N,5-dimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine is CNc1nc(C(C)(C)C)nc(Sc2ncnn2C)c1C.
What is the InChIKey of 2-tert-butyl-N,5-dimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine?
The InChIKey is QGPVIHOTTRNAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6S/c1-8-9(14-5)17-11(13(2,3)4)18-10(8)20-12-15-7-16-19(12)6/h7H,1-6H3,(H,14,17,18).
What are the key properties of 2-tert-butyl-N,5-dimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine?
2-tert-butyl-N,5-dimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine has a molecular weight of 292.41 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N,5-dimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 104604881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).