5-ethyl-4-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methylpyrimidine-2,4-diamine

C12H18N6O2 — CID 72939791

IUPAC5-ethyl-4-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methylpyrimidine-2,4-diamine
SMILESCCc1c(C)nc(N)nc1NCc1noc(COC)n1
InChIInChI=1S/C12H18N6O2/c1-4-8-7(2)15-12(13)17-11(8)14-5-9-16-10(6-19-3)20-18-9/h4-6H2,1-3H3,(H3,13,14,15,17)
InChIKeyMNQPRWLWWINCOY-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.07
Rot. Bonds6

About 5-ethyl-4-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methylpyrimidine-2,4-diamine

5-ethyl-4-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 72939791) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 5-ethyl-4-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methylpyrimidine-2,4-diamine
PubChem CID72939791
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name5-ethyl-4-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methylpyrimidine-2,4-diamine
SMILESCCc1c(C)nc(N)nc1NCc1noc(COC)n1
InChIInChI=1S/C12H18N6O2/c1-4-8-7(2)15-12(13)17-11(8)14-5-9-16-10(6-19-3)20-18-9/h4-6H2,1-3H3,(H3,13,14,15,17)
InChIKeyMNQPRWLWWINCOY-UHFFFAOYSA-N
XLogP1.07
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-ethyl-4-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methylpyrimidine-2,4-diamine (CID 72939791) is 5-ethyl-4-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-ethyl-4-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-ethyl-4-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methylpyrimidine-2,4-diamine is CCc1c(C)nc(N)nc1NCc1noc(COC)n1.
What is the InChIKey of 5-ethyl-4-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is MNQPRWLWWINCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-4-8-7(2)15-12(13)17-11(8)14-5-9-16-10(6-19-3)20-18-9/h4-6H2,1-3H3,(H3,13,14,15,17).
What are the key properties of 5-ethyl-4-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methylpyrimidine-2,4-diamine?
5-ethyl-4-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 278.32 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 72939791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).