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

C14H20N6O2 — CID 56711897

IUPACN-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2-morpholin-4-ylpyrimidin-5-yl)methanamine
SMILESCc1noc(CN(C)Cc2cnc(N3CCOCC3)nc2)n1
InChIInChI=1S/C14H20N6O2/c1-11-17-13(22-18-11)10-19(2)9-12-7-15-14(16-8-12)20-3-5-21-6-4-20/h7-8H,3-6,9-10H2,1-2H3
InChIKeyNRXLHDYQVPLKBQ-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.64
Rot. Bonds5

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

N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2-morpholin-4-ylpyrimidin-5-yl)methanamine (PubChem CID 56711897) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2-morpholin-4-ylpyrimidin-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2-morpholin-4-ylpyrimidin-5-yl)methanamine
PubChem CID56711897
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC NameN-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2-morpholin-4-ylpyrimidin-5-yl)methanamine
SMILESCc1noc(CN(C)Cc2cnc(N3CCOCC3)nc2)n1
InChIInChI=1S/C14H20N6O2/c1-11-17-13(22-18-11)10-19(2)9-12-7-15-14(16-8-12)20-3-5-21-6-4-20/h7-8H,3-6,9-10H2,1-2H3
InChIKeyNRXLHDYQVPLKBQ-UHFFFAOYSA-N
XLogP0.64
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2-morpholin-4-ylpyrimidin-5-yl)methanamine?
The IUPAC name of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2-morpholin-4-ylpyrimidin-5-yl)methanamine (CID 56711897) is N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2-morpholin-4-ylpyrimidin-5-yl)methanamine.
What is the SMILES notation for N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2-morpholin-4-ylpyrimidin-5-yl)methanamine?
The canonical SMILES for N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2-morpholin-4-ylpyrimidin-5-yl)methanamine is Cc1noc(CN(C)Cc2cnc(N3CCOCC3)nc2)n1.
What is the InChIKey of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2-morpholin-4-ylpyrimidin-5-yl)methanamine?
The InChIKey is NRXLHDYQVPLKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-11-17-13(22-18-11)10-19(2)9-12-7-15-14(16-8-12)20-3-5-21-6-4-20/h7-8H,3-6,9-10H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2-morpholin-4-ylpyrimidin-5-yl)methanamine?
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2-morpholin-4-ylpyrimidin-5-yl)methanamine has a molecular weight of 304.35 g/mol, XLogP of 0.64, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2-morpholin-4-ylpyrimidin-5-yl)methanamine is sourced from PubChem (CID 56711897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).