2-tert-butyl-5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine

C12H17N5S3 — CID 115384405

IUPAC2-tert-butyl-5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
SMILESCSc1nnc(Sc2nc(C(C)(C)C)nc(N)c2C)s1
InChIInChI=1S/C12H17N5S3/c1-6-7(13)14-9(12(2,3)4)15-8(6)19-11-17-16-10(18-5)20-11/h1-5H3,(H2,13,14,15)
InChIKeyWKELOFRKSYAROH-UHFFFAOYSA-N
MW327.50 g/mol
LogP3.39
Rot. Bonds3

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

2-tert-butyl-5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine (PubChem CID 115384405) has the molecular formula C12H17N5S3 and a molecular weight of 327.50 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
PubChem CID115384405
Molecular FormulaC12H17N5S3
Molecular Weight327.50 g/mol
Exact Mass327.06
IUPAC Name2-tert-butyl-5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
SMILESCSc1nnc(Sc2nc(C(C)(C)C)nc(N)c2C)s1
InChIInChI=1S/C12H17N5S3/c1-6-7(13)14-9(12(2,3)4)15-8(6)19-11-17-16-10(18-5)20-11/h1-5H3,(H2,13,14,15)
InChIKeyWKELOFRKSYAROH-UHFFFAOYSA-N
XLogP3.39
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.50
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-tert-butyl-5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine with MolForge

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Related Compounds

2,5-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80885910
2-tert-butyl-6-(4-methoxyphenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80991175
2-tert-butyl-5-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 106928463
6-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine
CID 103335328
2-tert-butyl-6-[2-(diethylamino)ethylsulfanyl]-5-methylpyrimidin-4-amine
CID 80995478
2-(6,7-dichloro-3-methylquinoxalin-2-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
CID 20821229
2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
CID 115383155
5-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 115384396
4-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
CID 115382743
5,6-dimethyl-2-(2-methylsulfanylpropan-2-yl)pyrimidin-4-amine
CID 130839460
5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 115384358
2-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
CID 115382740

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine (CID 115384405) is 2-tert-butyl-5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine is CSc1nnc(Sc2nc(C(C)(C)C)nc(N)c2C)s1.
What is the InChIKey of 2-tert-butyl-5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine?
The InChIKey is WKELOFRKSYAROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S3/c1-6-7(13)14-9(12(2,3)4)15-8(6)19-11-17-16-10(18-5)20-11/h1-5H3,(H2,13,14,15).
What are the key properties of 2-tert-butyl-5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine?
2-tert-butyl-5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine has a molecular weight of 327.50 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 115384405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).