N-methyl-1-(2-morpholin-4-ylpyrimidin-5-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine

C16H24N6O2 — CID 70788319

IUPACN-methyl-1-(2-morpholin-4-ylpyrimidin-5-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine
SMILESCC(C)c1nc(CN(C)Cc2cnc(N3CCOCC3)nc2)no1
InChIInChI=1S/C16H24N6O2/c1-12(2)15-19-14(20-24-15)11-21(3)10-13-8-17-16(18-9-13)22-4-6-23-7-5-22/h8-9,12H,4-7,10-11H2,1-3H3
InChIKeyFEMDBDOIWPGPEU-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.45
Rot. Bonds6

About N-methyl-1-(2-morpholin-4-ylpyrimidin-5-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine

N-methyl-1-(2-morpholin-4-ylpyrimidin-5-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine (PubChem CID 70788319) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-methyl-1-(2-morpholin-4-ylpyrimidin-5-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-morpholin-4-ylpyrimidin-5-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine
PubChem CID70788319
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC NameN-methyl-1-(2-morpholin-4-ylpyrimidin-5-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine
SMILESCC(C)c1nc(CN(C)Cc2cnc(N3CCOCC3)nc2)no1
InChIInChI=1S/C16H24N6O2/c1-12(2)15-19-14(20-24-15)11-21(3)10-13-8-17-16(18-9-13)22-4-6-23-7-5-22/h8-9,12H,4-7,10-11H2,1-3H3
InChIKeyFEMDBDOIWPGPEU-UHFFFAOYSA-N
XLogP1.45
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-morpholin-4-ylpyrimidin-5-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(2-morpholin-4-ylpyrimidin-5-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine (CID 70788319) is N-methyl-1-(2-morpholin-4-ylpyrimidin-5-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(2-morpholin-4-ylpyrimidin-5-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(2-morpholin-4-ylpyrimidin-5-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine is CC(C)c1nc(CN(C)Cc2cnc(N3CCOCC3)nc2)no1.
What is the InChIKey of N-methyl-1-(2-morpholin-4-ylpyrimidin-5-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The InChIKey is FEMDBDOIWPGPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-12(2)15-19-14(20-24-15)11-21(3)10-13-8-17-16(18-9-13)22-4-6-23-7-5-22/h8-9,12H,4-7,10-11H2,1-3H3.
What are the key properties of N-methyl-1-(2-morpholin-4-ylpyrimidin-5-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
N-methyl-1-(2-morpholin-4-ylpyrimidin-5-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine has a molecular weight of 332.41 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-morpholin-4-ylpyrimidin-5-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine is sourced from PubChem (CID 70788319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).