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

C16H20N6S — CID 133490971

IUPACN-(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
SMILESCCc1nc2n(n1)CCCC2Nc1nc(C)nc2scc(C)c12
InChIInChI=1S/C16H20N6S/c1-4-12-20-15-11(6-5-7-22(15)21-12)19-14-13-9(2)8-23-16(13)18-10(3)17-14/h8,11H,4-7H2,1-3H3,(H,17,18,19)
InChIKeyFRJGHDMMDDLLEY-UHFFFAOYSA-N
MW328.45 g/mol
LogP3.41
Rot. Bonds3

About 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

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 (PubChem CID 133490971) has the molecular formula C16H20N6S and a molecular weight of 328.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID133490971
Molecular FormulaC16H20N6S
Molecular Weight328.45 g/mol
Exact Mass328.15
IUPAC NameN-(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
SMILESCCc1nc2n(n1)CCCC2Nc1nc(C)nc2scc(C)c12
InChIInChI=1S/C16H20N6S/c1-4-12-20-15-11(6-5-7-22(15)21-12)19-14-13-9(2)8-23-16(13)18-10(3)17-14/h8,11H,4-7H2,1-3H3,(H,17,18,19)
InChIKeyFRJGHDMMDDLLEY-UHFFFAOYSA-N
XLogP3.41
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
3-ethyl-N-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-thiadiazol-5-amine
CID 97055693
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
2,5-dimethyl-N-(thian-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 133485407
N-ethyl-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 130667435
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
cyclohexyl-[3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]methanone
CID 127909638
1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanamine
CID 112711432
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 129006854
3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 133491152
2-ethyl-N-[1-(5-ethylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 75428655
3-[(3S)-3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129476201

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1nc2n(n1)CCCC2Nc1nc(C)nc2scc(C)c12.
What is the InChIKey of 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?
The InChIKey is FRJGHDMMDDLLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6S/c1-4-12-20-15-11(6-5-7-22(15)21-12)19-14-13-9(2)8-23-16(13)18-10(3)17-14/h8,11H,4-7H2,1-3H3,(H,17,18,19).
What are the key properties of 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?
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 has a molecular weight of 328.45 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 133490971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).