2-methylsulfanyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine

C12H18N6OS — CID 106412170

IUPAC2-methylsulfanyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCc2ncon2)nc(SC)n1
InChIInChI=1S/C12H18N6OS/c1-3-5-13-10-7-11(17-12(16-10)20-2)14-6-4-9-15-8-19-18-9/h7-8H,3-6H2,1-2H3,(H2,13,14,16,17)
InChIKeyLGZPWNVJIOAXQB-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.06
Rot. Bonds8

About 2-methylsulfanyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine

2-methylsulfanyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine (PubChem CID 106412170) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-methylsulfanyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methylsulfanyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
PubChem CID106412170
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Name2-methylsulfanyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCc2ncon2)nc(SC)n1
InChIInChI=1S/C12H18N6OS/c1-3-5-13-10-7-11(17-12(16-10)20-2)14-6-4-9-15-8-19-18-9/h7-8H,3-6H2,1-2H3,(H2,13,14,16,17)
InChIKeyLGZPWNVJIOAXQB-UHFFFAOYSA-N
XLogP2.06
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-methylsulfanyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine with MolForge

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Related Compounds

2-methylsulfanyl-4-N-(2-methylsulfanylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80838992
6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356
6-hydrazinyl-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106412529
2-(ethoxymethyl)-6-N-ethyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106412236
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395589
6-N-methyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106412168
5,6-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrazin-2-amine
CID 106404238
2-methylsulfanyl-4-N-(2-methylsulfinylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 113480695
3-nitro-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-N-propylpyridine-2,6-diamine
CID 106412297
2-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80780195
2-cyclopropyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 114185577
4-N,4-N-dimethyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80765397

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-methylsulfanyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine (CID 106412170) is 2-methylsulfanyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-methylsulfanyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-methylsulfanyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NCCc2ncon2)nc(SC)n1.
What is the InChIKey of 2-methylsulfanyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is LGZPWNVJIOAXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-3-5-13-10-7-11(17-12(16-10)20-2)14-6-4-9-15-8-19-18-9/h7-8H,3-6H2,1-2H3,(H2,13,14,16,17).
What are the key properties of 2-methylsulfanyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine?
2-methylsulfanyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 294.38 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 106412170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).