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

C8H10N6OS — CID 30469697

IUPAC2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine
SMILESCc1noc(CSc2nc(N)cc(N)n2)n1
InChIInChI=1S/C8H10N6OS/c1-4-11-7(15-14-4)3-16-8-12-5(9)2-6(10)13-8/h2H,3H2,1H3,(H4,9,10,12,13)
InChIKeyZAUMUWLLVZHNIF-UHFFFAOYSA-N
MW238.28 g/mol
LogP0.62
Rot. Bonds3

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

2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine (PubChem CID 30469697) has the molecular formula C8H10N6OS and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine
PubChem CID30469697
Molecular FormulaC8H10N6OS
Molecular Weight238.28 g/mol
Exact Mass238.06
IUPAC Name2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine
SMILESCc1noc(CSc2nc(N)cc(N)n2)n1
InChIInChI=1S/C8H10N6OS/c1-4-11-7(15-14-4)3-16-8-12-5(9)2-6(10)13-8/h2H,3H2,1H3,(H4,9,10,12,13)
InChIKeyZAUMUWLLVZHNIF-UHFFFAOYSA-N
XLogP0.62
TPSA116.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine (CID 30469697) is 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine is Cc1noc(CSc2nc(N)cc(N)n2)n1.
What is the InChIKey of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine?
The InChIKey is ZAUMUWLLVZHNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6OS/c1-4-11-7(15-14-4)3-16-8-12-5(9)2-6(10)13-8/h2H,3H2,1H3,(H4,9,10,12,13).
What are the key properties of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine?
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine has a molecular weight of 238.28 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 30469697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).