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

C11H15N5OS — CID 80891676

IUPAC2-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Sc2nnc(C)o2)nc(C)n1
InChIInChI=1S/C11H15N5OS/c1-4-5-12-9-6-10(14-7(2)13-9)18-11-16-15-8(3)17-11/h6H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyWKIWDFMUEPSLTG-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.45
Rot. Bonds5

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

2-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine (PubChem CID 80891676) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
PubChem CID80891676
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name2-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Sc2nnc(C)o2)nc(C)n1
InChIInChI=1S/C11H15N5OS/c1-4-5-12-9-6-10(14-7(2)13-9)18-11-16-15-8(3)17-11/h6H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyWKIWDFMUEPSLTG-UHFFFAOYSA-N
XLogP2.45
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-propyl-6-propylsulfanylpyrimidin-4-amine
CID 80886667
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N,2-dipropylpyrimidin-4-amine
CID 106928672
6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100
4-ethyl-3-[2-methyl-6-(propylamino)pyrimidin-4-yl]sulfanyl-1H-1,2,4-triazol-5-one
CID 80892160
6-benzylsulfanyl-2-methyl-N-propylpyrimidin-4-amine
CID 80888395
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 106928397
N-ethyl-2,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80891600
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-propylpyridine-4-carboxylic acid
CID 113380394
2-methyl-6-(propylamino)pyrimidine-4-carbothioamide
CID 130631586
N-[1-[3-bromo-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethyl]propan-1-amine
CID 62910715
N-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazin-2-amine
CID 80891678
N-ethyl-2-methyl-6-phenylsulfanylpyrimidin-4-amine
CID 80888102

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine?
The IUPAC name of 2-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine (CID 80891676) is 2-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine is CCCNc1cc(Sc2nnc(C)o2)nc(C)n1.
What is the InChIKey of 2-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine?
The InChIKey is WKIWDFMUEPSLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-4-5-12-9-6-10(14-7(2)13-9)18-11-16-15-8(3)17-11/h6H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of 2-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine?
2-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine has a molecular weight of 265.34 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80891676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).