2,5-dimethyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thieno[2,3-d]pyrimidin-4-amine

C17H22N6S — CID 133490977

IUPAC2,5-dimethyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NC2CCCn3nc(C(C)C)nc32)c2c(C)csc2n1
InChIInChI=1S/C17H22N6S/c1-9(2)14-21-16-12(6-5-7-23(16)22-14)20-15-13-10(3)8-24-17(13)19-11(4)18-15/h8-9,12H,5-7H2,1-4H3,(H,18,19,20)
InChIKeyCOSGKKJRTOBSPU-UHFFFAOYSA-N
MW342.47 g/mol
LogP3.97
Rot. Bonds3

About 2,5-dimethyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thieno[2,3-d]pyrimidin-4-amine

2,5-dimethyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133490977) has the molecular formula C17H22N6S and a molecular weight of 342.47 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID133490977
Molecular FormulaC17H22N6S
Molecular Weight342.47 g/mol
Exact Mass342.16
IUPAC Name2,5-dimethyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NC2CCCn3nc(C(C)C)nc32)c2c(C)csc2n1
InChIInChI=1S/C17H22N6S/c1-9(2)14-21-16-12(6-5-7-23(16)22-14)20-15-13-10(3)8-24-17(13)19-11(4)18-15/h8-9,12H,5-7H2,1-4H3,(H,18,19,20)
InChIKeyCOSGKKJRTOBSPU-UHFFFAOYSA-N
XLogP3.97
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,5-dimethyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 133490971
2,5-dimethyl-N-(thian-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 133485407
N-(5-fluoro-2,6-dimethylpyrimidin-4-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 136513120
2-methyl-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133461787
2-methyl-N-[(8S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1H-imidazole-5-sulfonamide
CID 129327316
6-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]pyridine-2-carboxylic acid
CID 167770775
cyclohexyl-[3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]methanone
CID 127909638
3-[(3S)-3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129476201
5-methyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1H-indazole-7-carboxamide
CID 127446371
N-ethyl-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 130667435
N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pentane-1-sulfonamide
CID 75522291
4-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 133491020

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2,5-dimethyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thieno[2,3-d]pyrimidin-4-amine (CID 133490977) is 2,5-dimethyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2,5-dimethyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2,5-dimethyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thieno[2,3-d]pyrimidin-4-amine is Cc1nc(NC2CCCn3nc(C(C)C)nc32)c2c(C)csc2n1.
What is the InChIKey of 2,5-dimethyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is COSGKKJRTOBSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6S/c1-9(2)14-21-16-12(6-5-7-23(16)22-14)20-15-13-10(3)8-24-17(13)19-11(4)18-15/h8-9,12H,5-7H2,1-4H3,(H,18,19,20).
What are the key properties of 2,5-dimethyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thieno[2,3-d]pyrimidin-4-amine?
2,5-dimethyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 342.47 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133490977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).