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

C8H9N5O — CID 106392638

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-4-ylmethanamine
SMILESc1cc(CNCc2ncon2)ncn1
InChIInChI=1S/C8H9N5O/c1-2-9-5-11-7(1)3-10-4-8-12-6-14-13-8/h1-2,5-6,10H,3-4H2
InChIKeyGDCJIBZGFKPWQD-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.15
Rot. Bonds4

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

N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-4-ylmethanamine (PubChem CID 106392638) 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-4-ylmethanamine.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-4-ylmethanamine
PubChem CID106392638
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-4-ylmethanamine
SMILESc1cc(CNCc2ncon2)ncn1
InChIInChI=1S/C8H9N5O/c1-2-9-5-11-7(1)3-10-4-8-12-6-14-13-8/h1-2,5-6,10H,3-4H2
InChIKeyGDCJIBZGFKPWQD-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

N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-2-ylmethanamine
CID 106398647
1-[4-(difluoromethyl)phenyl]-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 114182980
N-(1,2,4-oxadiazol-3-ylmethyl)-1-(1,3-thiazol-4-yl)methanamine
CID 106393813
1-(6-bromo-2-pyridinyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106392443
N-[(5-methylthiophen-2-yl)methyl]-1-pyrimidin-4-ylmethanamine
CID 62748739
1-pyridin-3-yl-N-(pyrimidin-4-ylmethyl)methanamine
CID 62760396
1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106392584
1-(2-bromophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106393956
N-[(2-ethylphenyl)methyl]-1-pyrimidin-4-ylmethanamine
CID 64680497
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
2-(pyrimidin-4-ylmethylamino)acetamide
CID 62758549

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-4-ylmethanamine?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-4-ylmethanamine (CID 106392638) is N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-4-ylmethanamine.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-4-ylmethanamine?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-4-ylmethanamine is c1cc(CNCc2ncon2)ncn1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-4-ylmethanamine?
The InChIKey is GDCJIBZGFKPWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c1-2-9-5-11-7(1)3-10-4-8-12-6-14-13-8/h1-2,5-6,10H,3-4H2.
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-4-ylmethanamine?
N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-4-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-4-ylmethanamine is sourced from PubChem (CID 106392638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).