N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-methylthieno[2,3-d]pyrimidin-4-amine

C13H16N6S — CID 72918328

IUPACN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCCn2nc(C)nc2C)c2ccsc2n1
InChIInChI=1S/C13H16N6S/c1-8-16-12(11-4-7-20-13(11)17-8)14-5-6-19-10(3)15-9(2)18-19/h4,7H,5-6H2,1-3H3,(H,14,16,17)
InChIKeyYDQMIIAMOXARRF-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.32
Rot. Bonds4

About N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-methylthieno[2,3-d]pyrimidin-4-amine

N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 72918328) has the molecular formula C13H16N6S and a molecular weight of 288.38 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID72918328
Molecular FormulaC13H16N6S
Molecular Weight288.38 g/mol
Exact Mass288.12
IUPAC NameN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCCn2nc(C)nc2C)c2ccsc2n1
InChIInChI=1S/C13H16N6S/c1-8-16-12(11-4-7-20-13(11)17-8)14-5-6-19-10(3)15-9(2)18-19/h4,7H,5-6H2,1-3H3,(H,14,16,17)
InChIKeyYDQMIIAMOXARRF-UHFFFAOYSA-N
XLogP2.32
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-methylthieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-methylthieno[2,3-d]pyrimidin-4-amine
CID 72938446
2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62193818
2-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 11680593
2-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 46991915
2-[3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]phenol
CID 46986489
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]aniline
CID 62567609
4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330644
2-ethyl-N-(2-pyrrol-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133403949
2-N-ethyl-4-N-(2-pyrazol-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325853
N-cyclopropyl-2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 137341667
4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324043
2-chloro-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321517

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-methylthieno[2,3-d]pyrimidin-4-amine (CID 72918328) is N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-methylthieno[2,3-d]pyrimidin-4-amine is Cc1nc(NCCn2nc(C)nc2C)c2ccsc2n1.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YDQMIIAMOXARRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6S/c1-8-16-12(11-4-7-20-13(11)17-8)14-5-6-19-10(3)15-9(2)18-19/h4,7H,5-6H2,1-3H3,(H,14,16,17).
What are the key properties of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-methylthieno[2,3-d]pyrimidin-4-amine?
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 288.38 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 72918328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).