5-ethyl-2-methyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]pyrimidin-4-amine

C11H16N6S — CID 50955751

IUPAC5-ethyl-2-methyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]pyrimidin-4-amine
SMILESCCc1cnc(C)nc1NCCSc1cn[nH]n1
InChIInChI=1S/C11H16N6S/c1-3-9-6-13-8(2)15-11(9)12-4-5-18-10-7-14-17-16-10/h6-7H,3-5H2,1-2H3,(H,12,13,15)(H,14,16,17)
InChIKeyKFFBUGJFOBVQOI-UHFFFAOYSA-N
MW264.36 g/mol
LogP1.67
Rot. Bonds6

About 5-ethyl-2-methyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]pyrimidin-4-amine

5-ethyl-2-methyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]pyrimidin-4-amine (PubChem CID 50955751) has the molecular formula C11H16N6S and a molecular weight of 264.36 g/mol. Its IUPAC name is 5-ethyl-2-methyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-2-methyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]pyrimidin-4-amine
PubChem CID50955751
Molecular FormulaC11H16N6S
Molecular Weight264.36 g/mol
Exact Mass264.12
IUPAC Name5-ethyl-2-methyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]pyrimidin-4-amine
SMILESCCc1cnc(C)nc1NCCSc1cn[nH]n1
InChIInChI=1S/C11H16N6S/c1-3-9-6-13-8(2)15-11(9)12-4-5-18-10-7-14-17-16-10/h6-7H,3-5H2,1-2H3,(H,12,13,15)(H,14,16,17)
InChIKeyKFFBUGJFOBVQOI-UHFFFAOYSA-N
XLogP1.67
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-ethyl-2-methyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]pyrimidin-4-amine (CID 50955751) is 5-ethyl-2-methyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-2-methyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-2-methyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]pyrimidin-4-amine is CCc1cnc(C)nc1NCCSc1cn[nH]n1.
What is the InChIKey of 5-ethyl-2-methyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]pyrimidin-4-amine?
The InChIKey is KFFBUGJFOBVQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6S/c1-3-9-6-13-8(2)15-11(9)12-4-5-18-10-7-14-17-16-10/h6-7H,3-5H2,1-2H3,(H,12,13,15)(H,14,16,17).
What are the key properties of 5-ethyl-2-methyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]pyrimidin-4-amine?
5-ethyl-2-methyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]pyrimidin-4-amine has a molecular weight of 264.36 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 50955751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).