5-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-N-propylpyrimidin-2-amine

C13H20N6O — CID 77091760

IUPAC5-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(CN(C)Cc2nnc(C)o2)cn1
InChIInChI=1S/C13H20N6O/c1-4-5-14-13-15-6-11(7-16-13)8-19(3)9-12-18-17-10(2)20-12/h6-7H,4-5,8-9H2,1-3H3,(H,14,15,16)
InChIKeyDOTVGEJRBYKRAU-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.62
Rot. Bonds7

About 5-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-N-propylpyrimidin-2-amine

5-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-N-propylpyrimidin-2-amine (PubChem CID 77091760) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-N-propylpyrimidin-2-amine
PubChem CID77091760
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name5-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(CN(C)Cc2nnc(C)o2)cn1
InChIInChI=1S/C13H20N6O/c1-4-5-14-13-15-6-11(7-16-13)8-19(3)9-12-18-17-10(2)20-12/h6-7H,4-5,8-9H2,1-3H3,(H,14,15,16)
InChIKeyDOTVGEJRBYKRAU-UHFFFAOYSA-N
XLogP1.62
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-N-propylpyrimidin-2-amine?
The IUPAC name of 5-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-N-propylpyrimidin-2-amine (CID 77091760) is 5-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-N-propylpyrimidin-2-amine is CCCNc1ncc(CN(C)Cc2nnc(C)o2)cn1.
What is the InChIKey of 5-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-N-propylpyrimidin-2-amine?
The InChIKey is DOTVGEJRBYKRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-4-5-14-13-15-6-11(7-16-13)8-19(3)9-12-18-17-10(2)20-12/h6-7H,4-5,8-9H2,1-3H3,(H,14,15,16).
What are the key properties of 5-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-N-propylpyrimidin-2-amine?
5-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-N-propylpyrimidin-2-amine has a molecular weight of 276.34 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-N-propylpyrimidin-2-amine is sourced from PubChem (CID 77091760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).