N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-2-ylmethanamine

C8H9N5O — CID 106398647

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-2-ylmethanamine
SMILESc1cnc(CNCc2ncon2)nc1
InChIInChI=1S/C8H9N5O/c1-2-10-7(11-3-1)4-9-5-8-12-6-14-13-8/h1-3,6,9H,4-5H2
InChIKeyOQWBTQJIIJZXDX-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.15
Rot. Bonds4

About N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-2-ylmethanamine

N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-2-ylmethanamine (PubChem CID 106398647) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-2-ylmethanamine.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-2-ylmethanamine
PubChem CID106398647
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-2-ylmethanamine
SMILESc1cnc(CNCc2ncon2)nc1
InChIInChI=1S/C8H9N5O/c1-2-10-7(11-3-1)4-9-5-8-12-6-14-13-8/h1-3,6,9H,4-5H2
InChIKeyOQWBTQJIIJZXDX-UHFFFAOYSA-N
XLogP0.15
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-bromophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106393956
N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-4-ylmethanamine
CID 106392638
N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-phenylphenyl)methanamine
CID 106392234
2,2-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106399000
1-naphthalen-2-yl-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 114183090
1-(6-bromo-2-pyridinyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106392443
N-(1,2,4-oxadiazol-3-ylmethyl)-1-(1,3-thiazol-4-yl)methanamine
CID 106393813
N'-hydroxy-3-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyridine-2-carboximidamide
CID 136690664
N-[(1-ethylimidazol-2-yl)methyl]-1-(1,2,4-oxadiazol-3-yl)methanamine
CID 106393163
1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106392584
1-(2-ethoxyphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106392785
1-[4-(difluoromethyl)phenyl]-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 114182980

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-2-ylmethanamine?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-2-ylmethanamine (CID 106398647) is N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-2-ylmethanamine.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-2-ylmethanamine?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-2-ylmethanamine is c1cnc(CNCc2ncon2)nc1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-2-ylmethanamine?
The InChIKey is OQWBTQJIIJZXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c1-2-10-7(11-3-1)4-9-5-8-12-6-14-13-8/h1-3,6,9H,4-5H2.
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-2-ylmethanamine?
N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-2-ylmethanamine has a molecular weight of 191.19 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-2-ylmethanamine is sourced from PubChem (CID 106398647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).