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

C12H18N6S — CID 80892174

IUPAC5-ethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(Sc2n[nH]c(C)n2)c1CC
InChIInChI=1S/C12H18N6S/c1-4-6-13-10-9(5-2)11(15-7-14-10)19-12-16-8(3)17-18-12/h7H,4-6H2,1-3H3,(H,13,14,15)(H,16,17,18)
InChIKeyKZIUULSPVLRNDK-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.44
Rot. Bonds6

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

5-ethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine (PubChem CID 80892174) has the molecular formula C12H18N6S and a molecular weight of 278.38 g/mol. Its IUPAC name is 5-ethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine
PubChem CID80892174
Molecular FormulaC12H18N6S
Molecular Weight278.38 g/mol
Exact Mass278.13
IUPAC Name5-ethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(Sc2n[nH]c(C)n2)c1CC
InChIInChI=1S/C12H18N6S/c1-4-6-13-10-9(5-2)11(15-7-14-10)19-12-16-8(3)17-18-12/h7H,4-6H2,1-3H3,(H,13,14,15)(H,16,17,18)
InChIKeyKZIUULSPVLRNDK-UHFFFAOYSA-N
XLogP2.44
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80885817
5-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80895253
5-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 104604989
5-ethyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine
CID 107765373
6-(3-chlorophenyl)sulfanyl-5-ethyl-N-propylpyrimidin-4-amine
CID 80891845
5-ethyl-6-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-4-amine
CID 80883437
6-ethylsulfanyl-5-methyl-N-propylpyrimidin-4-amine
CID 80887936
6-(5-methylpyrimidin-2-yl)sulfanyl-5-nitro-N-propylpyrimidin-4-amine
CID 80883011
4-N-(2,2-dimethylpropyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80797563
5-ethyl-6-(2-methyloxolan-3-yl)sulfanyl-N-propylpyrimidin-4-amine
CID 107765164
6-cyclopentylsulfanyl-N,5-dipropylpyrimidin-4-amine
CID 80889758
6-cycloheptyloxy-5-ethyl-N-propylpyrimidin-4-amine
CID 80871776

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine (CID 80892174) is 5-ethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine is CCCNc1ncnc(Sc2n[nH]c(C)n2)c1CC.
What is the InChIKey of 5-ethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine?
The InChIKey is KZIUULSPVLRNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6S/c1-4-6-13-10-9(5-2)11(15-7-14-10)19-12-16-8(3)17-18-12/h7H,4-6H2,1-3H3,(H,13,14,15)(H,16,17,18).
What are the key properties of 5-ethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine?
5-ethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine has a molecular weight of 278.38 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80892174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).