6-ethyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-morpholin-4-ylpyrimidin-4-amine

C15H22N6O2 — CID 50970860

IUPAC6-ethyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCCc1cc(N(C)Cc2nonc2C)nc(N2CCOCC2)n1
InChIInChI=1S/C15H22N6O2/c1-4-12-9-14(20(3)10-13-11(2)18-23-19-13)17-15(16-12)21-5-7-22-8-6-21/h9H,4-8,10H2,1-3H3
InChIKeyKBCMJGXVIWQMOI-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.20
Rot. Bonds5

About 6-ethyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-morpholin-4-ylpyrimidin-4-amine

6-ethyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 50970860) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 6-ethyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID50970860
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name6-ethyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCCc1cc(N(C)Cc2nonc2C)nc(N2CCOCC2)n1
InChIInChI=1S/C15H22N6O2/c1-4-12-9-14(20(3)10-13-11(2)18-23-19-13)17-15(16-12)21-5-7-22-8-6-21/h9H,4-8,10H2,1-3H3
InChIKeyKBCMJGXVIWQMOI-UHFFFAOYSA-N
XLogP1.20
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-morpholin-4-ylpyrimidin-4-amine (CID 50970860) is 6-ethyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-morpholin-4-ylpyrimidin-4-amine is CCc1cc(N(C)Cc2nonc2C)nc(N2CCOCC2)n1.
What is the InChIKey of 6-ethyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is KBCMJGXVIWQMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-4-12-9-14(20(3)10-13-11(2)18-23-19-13)17-15(16-12)21-5-7-22-8-6-21/h9H,4-8,10H2,1-3H3.
What are the key properties of 6-ethyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-morpholin-4-ylpyrimidin-4-amine?
6-ethyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 318.38 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 50970860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).