5-bromo-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazol-3-amine

C9H7BrN6S — CID 103098937

IUPAC5-bromo-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazol-3-amine
SMILESCc1cc2c(-n3nc(N)nc3Br)ncnc2s1
InChIInChI=1S/C9H7BrN6S/c1-4-2-5-6(12-3-13-7(5)17-4)16-8(10)14-9(11)15-16/h2-3H,1H3,(H2,11,15)
InChIKeyRJQROHYSEPBQKM-UHFFFAOYSA-N
MW311.17 g/mol
LogP1.93
Rot. Bonds1

About 5-bromo-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazol-3-amine

5-bromo-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazol-3-amine (PubChem CID 103098937) has the molecular formula C9H7BrN6S and a molecular weight of 311.17 g/mol. Its IUPAC name is 5-bromo-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-bromo-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazol-3-amine
PubChem CID103098937
Molecular FormulaC9H7BrN6S
Molecular Weight311.17 g/mol
Exact Mass309.96
IUPAC Name5-bromo-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazol-3-amine
SMILESCc1cc2c(-n3nc(N)nc3Br)ncnc2s1
InChIInChI=1S/C9H7BrN6S/c1-4-2-5-6(12-3-13-7(5)17-4)16-8(10)14-9(11)15-16/h2-3H,1H3,(H2,11,15)
InChIKeyRJQROHYSEPBQKM-UHFFFAOYSA-N
XLogP1.93
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 2229510
6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine
CID 133408657
1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 63616717
1-(6-methylthieno[2,3-d]pyrimidin-4-yl)imidazole-4-carboxylic acid
CID 63617898
4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487136
1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazole-3-carbonitrile
CID 133408053
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine
CID 133407195
4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487158
4-[4-(chloromethyl)piperidin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 63618427
4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-amine
CID 63617389
(3S,4R)-4-cyclopropyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 133117838
6-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 3235618

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazol-3-amine?
The IUPAC name of 5-bromo-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazol-3-amine (CID 103098937) is 5-bromo-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-bromo-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazol-3-amine?
The canonical SMILES for 5-bromo-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazol-3-amine is Cc1cc2c(-n3nc(N)nc3Br)ncnc2s1.
What is the InChIKey of 5-bromo-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazol-3-amine?
The InChIKey is RJQROHYSEPBQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN6S/c1-4-2-5-6(12-3-13-7(5)17-4)16-8(10)14-9(11)15-16/h2-3H,1H3,(H2,11,15).
What are the key properties of 5-bromo-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazol-3-amine?
5-bromo-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazol-3-amine has a molecular weight of 311.17 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 103098937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).