4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine

C12H13N7S — CID 103328315

IUPAC4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCc1cc2c(N3CCn4cnnc4C3)nc(N)nc2s1
InChIInChI=1S/C12H13N7S/c1-7-4-8-10(15-12(13)16-11(8)20-7)18-2-3-19-6-14-17-9(19)5-18/h4,6H,2-3,5H2,1H3,(H2,13,15,16)
InChIKeyBAWINXDQLQOOLP-UHFFFAOYSA-N
MW287.35 g/mol
LogP1.19
Rot. Bonds1

About 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine

4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103328315) has the molecular formula C12H13N7S and a molecular weight of 287.35 g/mol. Its IUPAC name is 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103328315
Molecular FormulaC12H13N7S
Molecular Weight287.35 g/mol
Exact Mass287.10
IUPAC Name4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCc1cc2c(N3CCn4cnnc4C3)nc(N)nc2s1
InChIInChI=1S/C12H13N7S/c1-7-4-8-10(15-12(13)16-11(8)20-7)18-2-3-19-6-14-17-9(19)5-18/h4,6H,2-3,5H2,1H3,(H2,13,15,16)
InChIKeyBAWINXDQLQOOLP-UHFFFAOYSA-N
XLogP1.19
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103328311
6-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323793
4-(4,4-dimethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103327461
4-(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
CID 103330831
1-(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 103323254
6-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103329856
6-methyl-4-(4-methylazepan-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327825
4-[3-(diethylamino)pyrrolidin-1-yl]-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103327595
2-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-methylthieno[2,3-d]pyrimidine
CID 103321606
4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103327562
2-[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methyl-3-pyridinyl]ethanamine
CID 80634827
6-methyl-4-(3-methylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103331102

Frequently Asked Questions

What is the IUPAC name of 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine (CID 103328315) is 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine is Cc1cc2c(N3CCn4cnnc4C3)nc(N)nc2s1.
What is the InChIKey of 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is BAWINXDQLQOOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7S/c1-7-4-8-10(15-12(13)16-11(8)20-7)18-2-3-19-6-14-17-9(19)5-18/h4,6H,2-3,5H2,1H3,(H2,13,15,16).
What are the key properties of 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine?
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 287.35 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103328315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).