4-N-[[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine

C13H20N6O2 — CID 97319371

IUPAC4-N-[[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
SMILESCO[C@@H](C)c1noc(CN(C)c2ccnc(N(C)C)n2)n1
InChIInChI=1S/C13H20N6O2/c1-9(20-5)12-16-11(21-17-12)8-19(4)10-6-7-14-13(15-10)18(2)3/h6-7,9H,8H2,1-5H3/t9-/m0/s1
InChIKeyXYEBOYODOGMQPX-VIFPVBQESA-N
MW292.34 g/mol
LogP1.27
Rot. Bonds6

About 4-N-[[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine

4-N-[[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine (PubChem CID 97319371) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-N-[[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
PubChem CID97319371
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Name4-N-[[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
SMILESCO[C@@H](C)c1noc(CN(C)c2ccnc(N(C)C)n2)n1
InChIInChI=1S/C13H20N6O2/c1-9(20-5)12-16-11(21-17-12)8-19(4)10-6-7-14-13(15-10)18(2)3/h6-7,9H,8H2,1-5H3/t9-/m0/s1
InChIKeyXYEBOYODOGMQPX-VIFPVBQESA-N
XLogP1.27
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-[[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine (CID 97319371) is 4-N-[[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine is CO[C@@H](C)c1noc(CN(C)c2ccnc(N(C)C)n2)n1.
What is the InChIKey of 4-N-[[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine?
The InChIKey is XYEBOYODOGMQPX-VIFPVBQESA-N. The full InChI is InChI=1S/C13H20N6O2/c1-9(20-5)12-16-11(21-17-12)8-19(4)10-6-7-14-13(15-10)18(2)3/h6-7,9H,8H2,1-5H3/t9-/m0/s1.
What are the key properties of 4-N-[[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine?
4-N-[[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine has a molecular weight of 292.34 g/mol, XLogP of 1.27, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 97319371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).