2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyrimidin-2-ylmethyl)ethanamine

C10H13N5O — CID 106415872

IUPAC2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyrimidin-2-ylmethyl)ethanamine
SMILESCc1nc(CCNCc2ncccn2)no1
InChIInChI=1S/C10H13N5O/c1-8-14-9(15-16-8)3-6-11-7-10-12-4-2-5-13-10/h2,4-5,11H,3,6-7H2,1H3
InChIKeyRMCVFDXBGRWBBS-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.50
Rot. Bonds5

About 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyrimidin-2-ylmethyl)ethanamine

2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyrimidin-2-ylmethyl)ethanamine (PubChem CID 106415872) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyrimidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyrimidin-2-ylmethyl)ethanamine
PubChem CID106415872
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyrimidin-2-ylmethyl)ethanamine
SMILESCc1nc(CCNCc2ncccn2)no1
InChIInChI=1S/C10H13N5O/c1-8-14-9(15-16-8)3-6-11-7-10-12-4-2-5-13-10/h2,4-5,11H,3,6-7H2,1H3
InChIKeyRMCVFDXBGRWBBS-UHFFFAOYSA-N
XLogP0.50
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 106413859
[4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenyl]methanol
CID 114186023
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 106398362
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methylphenyl)ethanamine
CID 114015020
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(1,3-oxazol-5-ylmethyl)ethanamine
CID 106413933
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 104878939
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 106415901
2-bromo-6-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenol
CID 113229764
3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]but-3-en-1-amine
CID 106416031
2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine
CID 106413986
N-[(3-chloro-4-methylphenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 106833818
3-fluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 103790275

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyrimidin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyrimidin-2-ylmethyl)ethanamine (CID 106415872) is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyrimidin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyrimidin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyrimidin-2-ylmethyl)ethanamine is Cc1nc(CCNCc2ncccn2)no1.
What is the InChIKey of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyrimidin-2-ylmethyl)ethanamine?
The InChIKey is RMCVFDXBGRWBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-8-14-9(15-16-8)3-6-11-7-10-12-4-2-5-13-10/h2,4-5,11H,3,6-7H2,1H3.
What are the key properties of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyrimidin-2-ylmethyl)ethanamine?
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyrimidin-2-ylmethyl)ethanamine has a molecular weight of 219.25 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyrimidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106415872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).