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

C12H18N6S — CID 104604989

IUPAC5-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(Sc2ncnn2C)c1CC
InChIInChI=1S/C12H18N6S/c1-4-6-13-10-9(5-2)11(15-7-14-10)19-12-16-8-17-18(12)3/h7-8H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyHNJFJWCPEAGPQH-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.14
Rot. Bonds6

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

5-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine (PubChem CID 104604989) has the molecular formula C12H18N6S and a molecular weight of 278.38 g/mol. Its IUPAC name is 5-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine
PubChem CID104604989
Molecular FormulaC12H18N6S
Molecular Weight278.38 g/mol
Exact Mass278.13
IUPAC Name5-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(Sc2ncnn2C)c1CC
InChIInChI=1S/C12H18N6S/c1-4-6-13-10-9(5-2)11(15-7-14-10)19-12-16-8-17-18(12)3/h7-8H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyHNJFJWCPEAGPQH-UHFFFAOYSA-N
XLogP2.14
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 113432001
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-pentylsulfanyl-N-propylpyrimidin-4-amine
CID 107765373
5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-4-amine
CID 80887595
5-ethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80892174
6-(3-chlorophenyl)sulfanyl-5-ethyl-N-propylpyrimidin-4-amine
CID 80891845
6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-7H-purin-2-amine
CID 114788474
5-ethyl-N-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine
CID 80888515
N-ethyl-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidin-4-amine
CID 104604999
5-ethyl-6-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-4-amine
CID 80883437
4-N-(2,2-dimethylpropyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80797563

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine (CID 104604989) is 5-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine is CCCNc1ncnc(Sc2ncnn2C)c1CC.
What is the InChIKey of 5-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine?
The InChIKey is HNJFJWCPEAGPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6S/c1-4-6-13-10-9(5-2)11(15-7-14-10)19-12-16-8-17-18(12)3/h7-8H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of 5-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine?
5-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine has a molecular weight of 278.38 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 104604989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).