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

C11H16N6S — CID 80882353

IUPAC5-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(Sc2nncn2C)n1
InChIInChI=1S/C11H16N6S/c1-4-5-12-10-13-6-8(2)9(15-10)18-11-16-14-7-17(11)3/h6-7H,4-5H2,1-3H3,(H,12,13,15)
InChIKeyJLFXUMNGSFRKRZ-UHFFFAOYSA-N
MW264.36 g/mol
LogP1.89
Rot. Bonds5

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

5-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-2-amine (PubChem CID 80882353) has the molecular formula C11H16N6S and a molecular weight of 264.36 g/mol. Its IUPAC name is 5-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-2-amine
PubChem CID80882353
Molecular FormulaC11H16N6S
Molecular Weight264.36 g/mol
Exact Mass264.12
IUPAC Name5-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(C)c(Sc2nncn2C)n1
InChIInChI=1S/C11H16N6S/c1-4-5-12-10-13-6-8(2)9(15-10)18-11-16-14-7-17(11)3/h6-7H,4-5H2,1-3H3,(H,12,13,15)
InChIKeyJLFXUMNGSFRKRZ-UHFFFAOYSA-N
XLogP1.89
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-5-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
CID 80882882
6-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103333877
5-bromo-N-ethyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
CID 80882687
4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylquinazolin-2-amine
CID 80869207
5-methyl-4-methylsulfanyl-N-propylpyrimidin-2-amine
CID 80886307
5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 106928450
5-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 115384396
8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylimidazo[1,2-a]pyrazin-6-amine
CID 80883484
5-bromo-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 113432001
4-(1H-benzimidazol-2-ylsulfanyl)-5-methyl-N-propylpyrimidin-2-amine
CID 80869687
5-methyl-4-piperidin-1-yl-N-propylpyrimidin-2-amine
CID 80764571
N-ethyl-5-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-2-amine
CID 80893038

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-2-amine?
The IUPAC name of 5-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-2-amine (CID 80882353) is 5-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-2-amine is CCCNc1ncc(C)c(Sc2nncn2C)n1.
What is the InChIKey of 5-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-2-amine?
The InChIKey is JLFXUMNGSFRKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6S/c1-4-5-12-10-13-6-8(2)9(15-10)18-11-16-14-7-17(11)3/h6-7H,4-5H2,1-3H3,(H,12,13,15).
What are the key properties of 5-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-2-amine?
5-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-2-amine has a molecular weight of 264.36 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80882353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).