N-ethyl-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine

C13H20N6S — CID 80991223

IUPACN-ethyl-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(C(C)C)nc(Sc2n[nH]c(C)n2)c1C
InChIInChI=1S/C13H20N6S/c1-6-14-11-8(4)12(17-10(16-11)7(2)3)20-13-15-9(5)18-19-13/h7H,6H2,1-5H3,(H,14,16,17)(H,15,18,19)
InChIKeyZJEPHMZNSVREPY-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.92
Rot. Bonds5

About N-ethyl-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine

N-ethyl-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80991223) has the molecular formula C13H20N6S and a molecular weight of 292.41 g/mol. Its IUPAC name is N-ethyl-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine
PubChem CID80991223
Molecular FormulaC13H20N6S
Molecular Weight292.41 g/mol
Exact Mass292.15
IUPAC NameN-ethyl-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(C(C)C)nc(Sc2n[nH]c(C)n2)c1C
InChIInChI=1S/C13H20N6S/c1-6-14-11-8(4)12(17-10(16-11)7(2)3)20-13-15-9(5)18-19-13/h7H,6H2,1-5H3,(H,14,16,17)(H,15,18,19)
InChIKeyZJEPHMZNSVREPY-UHFFFAOYSA-N
XLogP2.92
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-ethyl-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-5-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidin-4-amine
CID 80990699
N-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
CID 106928319
6-N-ethyl-5-methyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80980535
N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80995868
4-chloro-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidine
CID 80978202
6-N-ethyl-5-methyl-4-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80984018
N-ethyl-6-methoxy-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80989060
N-ethyl-5-methyl-2-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine
CID 80988663
4-ethyl-3-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-1H-1,2,4-triazol-5-one
CID 81001123
1-[[6-(ethylamino)-5-methyl-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylbutan-2-ol
CID 80993004
4-N,6-N-diethyl-5-methyl-4-N,2-di(propan-2-yl)pyrimidine-4,6-diamine
CID 80993605
3-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 80883349

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine (CID 80991223) is N-ethyl-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine is CCNc1nc(C(C)C)nc(Sc2n[nH]c(C)n2)c1C.
What is the InChIKey of N-ethyl-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is ZJEPHMZNSVREPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6S/c1-6-14-11-8(4)12(17-10(16-11)7(2)3)20-13-15-9(5)18-19-13/h7H,6H2,1-5H3,(H,14,16,17)(H,15,18,19).
What are the key properties of N-ethyl-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine?
N-ethyl-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 292.41 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80991223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).