6-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyrimidin-4-amine

C9H11N5OS — CID 47014371

IUPAC6-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyrimidin-4-amine
SMILESCc1cc(N)nc(SCc2noc(C)n2)n1
InChIInChI=1S/C9H11N5OS/c1-5-3-7(10)13-9(11-5)16-4-8-12-6(2)15-14-8/h3H,4H2,1-2H3,(H2,10,11,13)
InChIKeyBVYVBPYHDASDOL-UHFFFAOYSA-N
MW237.29 g/mol
LogP1.35
Rot. Bonds3

About 6-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyrimidin-4-amine

6-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyrimidin-4-amine (PubChem CID 47014371) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is 6-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyrimidin-4-amine
PubChem CID47014371
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC Name6-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyrimidin-4-amine
SMILESCc1cc(N)nc(SCc2noc(C)n2)n1
InChIInChI=1S/C9H11N5OS/c1-5-3-7(10)13-9(11-5)16-4-8-12-6(2)15-14-8/h3H,4H2,1-2H3,(H2,10,11,13)
InChIKeyBVYVBPYHDASDOL-UHFFFAOYSA-N
XLogP1.35
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyrimidin-4-amine (CID 47014371) is 6-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyrimidin-4-amine is Cc1cc(N)nc(SCc2noc(C)n2)n1.
What is the InChIKey of 6-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyrimidin-4-amine?
The InChIKey is BVYVBPYHDASDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-5-3-7(10)13-9(11-5)16-4-8-12-6(2)15-14-8/h3H,4H2,1-2H3,(H2,10,11,13).
What are the key properties of 6-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyrimidin-4-amine?
6-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyrimidin-4-amine has a molecular weight of 237.29 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 47014371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).