4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C12H12N8S — CID 80883733

IUPAC4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCc1cc(C)nc(Sc2nc(N)nc(-n3cccn3)n2)n1
InChIInChI=1S/C12H12N8S/c1-7-6-8(2)16-11(15-7)21-12-18-9(13)17-10(19-12)20-5-3-4-14-20/h3-6H,1-2H3,(H2,13,17,18,19)
InChIKeyVOMHKDSSSQNKTN-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.20
Rot. Bonds3

About 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine

4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80883733) has the molecular formula C12H12N8S and a molecular weight of 300.35 g/mol. Its IUPAC name is 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80883733
Molecular FormulaC12H12N8S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC Name4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCc1cc(C)nc(Sc2nc(N)nc(-n3cccn3)n2)n1
InChIInChI=1S/C12H12N8S/c1-7-6-8(2)16-11(15-7)21-12-18-9(13)17-10(19-12)20-5-3-4-14-20/h3-6H,1-2H3,(H2,13,17,18,19)
InChIKeyVOMHKDSSSQNKTN-UHFFFAOYSA-N
XLogP1.20
TPSA108.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80894397
4-(3-fluorophenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80895321
4-(2-fluorophenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80885105
4-(2-methoxyphenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80883813
4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80887003
4-(2-methoxyethylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80883957
3-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]butan-1-ol
CID 80891108
4-methyl-6-pyrazol-1-ylpyrimidin-2-amine
CID 14157472
4-(oxetan-3-ylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80891024
methyl 3-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]propanoate
CID 80886072
4-(2-methylimidazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80854151
4-(3-methylcyclohexyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80889900

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 80883733) is 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is Cc1cc(C)nc(Sc2nc(N)nc(-n3cccn3)n2)n1.
What is the InChIKey of 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is VOMHKDSSSQNKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N8S/c1-7-6-8(2)16-11(15-7)21-12-18-9(13)17-10(19-12)20-5-3-4-14-20/h3-6H,1-2H3,(H2,13,17,18,19).
What are the key properties of 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 300.35 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80883733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).