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

C11H15N5O2 — CID 56717350

IUPAC1-(2-methoxypyrimidin-5-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
SMILESCOc1ncc(CN(C)Cc2noc(C)n2)cn1
InChIInChI=1S/C11H15N5O2/c1-8-14-10(15-18-8)7-16(2)6-9-4-12-11(17-3)13-5-9/h4-5H,6-7H2,1-3H3
InChIKeyKTPXWKGLBDDTSC-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.81
Rot. Bonds5

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

1-(2-methoxypyrimidin-5-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine (PubChem CID 56717350) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-(2-methoxypyrimidin-5-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-methoxypyrimidin-5-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
PubChem CID56717350
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name1-(2-methoxypyrimidin-5-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
SMILESCOc1ncc(CN(C)Cc2noc(C)n2)cn1
InChIInChI=1S/C11H15N5O2/c1-8-14-10(15-18-8)7-16(2)6-9-4-12-11(17-3)13-5-9/h4-5H,6-7H2,1-3H3
InChIKeyKTPXWKGLBDDTSC-UHFFFAOYSA-N
XLogP0.81
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypyrimidin-5-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(2-methoxypyrimidin-5-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine (CID 56717350) is 1-(2-methoxypyrimidin-5-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-methoxypyrimidin-5-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(2-methoxypyrimidin-5-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine is COc1ncc(CN(C)Cc2noc(C)n2)cn1.
What is the InChIKey of 1-(2-methoxypyrimidin-5-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The InChIKey is KTPXWKGLBDDTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-8-14-10(15-18-8)7-16(2)6-9-4-12-11(17-3)13-5-9/h4-5H,6-7H2,1-3H3.
What are the key properties of 1-(2-methoxypyrimidin-5-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
1-(2-methoxypyrimidin-5-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine has a molecular weight of 249.27 g/mol, XLogP of 0.81, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypyrimidin-5-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine is sourced from PubChem (CID 56717350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).