5-(1,4,5,6-tetrahydropyrimidin-5-yl)-3-(trideuteriomethyl)-1,2,4-oxadiazole

C7H10N4O — CID 58487565

IUPAC5-(1,4,5,6-tetrahydropyrimidin-5-yl)-3-(trideuteriomethyl)-1,2,4-oxadiazole
SMILES[2H]C([2H])([2H])c1noc(C2CN=CNC2)n1
InChIInChI=1S/C7H10N4O/c1-5-10-7(12-11-5)6-2-8-4-9-3-6/h4,6H,2-3H2,1H3,(H,8,9)/i1D3
InChIKeySBTJKJXNBNKFHR-FIBGUPNXSA-N
MW169.20 g/mol
LogP0.09
Rot. Bonds2

About 5-(1,4,5,6-tetrahydropyrimidin-5-yl)-3-(trideuteriomethyl)-1,2,4-oxadiazole

5-(1,4,5,6-tetrahydropyrimidin-5-yl)-3-(trideuteriomethyl)-1,2,4-oxadiazole (PubChem CID 58487565) has the molecular formula C7H10N4O and a molecular weight of 169.20 g/mol. Its IUPAC name is 5-(1,4,5,6-tetrahydropyrimidin-5-yl)-3-(trideuteriomethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,4,5,6-tetrahydropyrimidin-5-yl)-3-(trideuteriomethyl)-1,2,4-oxadiazole
PubChem CID58487565
Molecular FormulaC7H10N4O
Molecular Weight169.20 g/mol
Exact Mass169.10
IUPAC Name5-(1,4,5,6-tetrahydropyrimidin-5-yl)-3-(trideuteriomethyl)-1,2,4-oxadiazole
SMILES[2H]C([2H])([2H])c1noc(C2CN=CNC2)n1
InChIInChI=1S/C7H10N4O/c1-5-10-7(12-11-5)6-2-8-4-9-3-6/h4,6H,2-3H2,1H3,(H,8,9)/i1D3
InChIKeySBTJKJXNBNKFHR-FIBGUPNXSA-N
XLogP0.09
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,2-dideuterioethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
CID 46917166
5-[1-[(4-methoxyphenyl)-diphenylmethyl]-5,6-dihydro-4H-pyrimidin-5-yl]-3-(trideuteriomethyl)-1,2,4-oxadiazole;5-(1,4,5,6-tetrahydropyrimidin-5-yl)-3-(trideuteriomethyl)-1,2,4-oxadiazole;hydrochloride
CID 160923711
3-heptyl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
CID 11776901
3-methyl-5-[(3S,5S)-5-methylpiperidin-3-yl]-1,2,4-oxadiazole
CID 58487567
5-[(4S)-azepan-4-yl]-3-methyl-1,2,4-oxadiazole
CID 97179514
CID 162193867
CID 162193867
3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 21476662
4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one
CID 63346585
3-methyl-5-(3-propan-2-ylcyclobutyl)-1,2,4-oxadiazole
CID 176864448
3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 66033169
3-methyl-5-(2-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 130763039
3-methyl-5-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 92845934

Frequently Asked Questions

What is the IUPAC name of 5-(1,4,5,6-tetrahydropyrimidin-5-yl)-3-(trideuteriomethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1,4,5,6-tetrahydropyrimidin-5-yl)-3-(trideuteriomethyl)-1,2,4-oxadiazole (CID 58487565) is 5-(1,4,5,6-tetrahydropyrimidin-5-yl)-3-(trideuteriomethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1,4,5,6-tetrahydropyrimidin-5-yl)-3-(trideuteriomethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,4,5,6-tetrahydropyrimidin-5-yl)-3-(trideuteriomethyl)-1,2,4-oxadiazole is [2H]C([2H])([2H])c1noc(C2CN=CNC2)n1.
What is the InChIKey of 5-(1,4,5,6-tetrahydropyrimidin-5-yl)-3-(trideuteriomethyl)-1,2,4-oxadiazole?
The InChIKey is SBTJKJXNBNKFHR-FIBGUPNXSA-N. The full InChI is InChI=1S/C7H10N4O/c1-5-10-7(12-11-5)6-2-8-4-9-3-6/h4,6H,2-3H2,1H3,(H,8,9)/i1D3.
What are the key properties of 5-(1,4,5,6-tetrahydropyrimidin-5-yl)-3-(trideuteriomethyl)-1,2,4-oxadiazole?
5-(1,4,5,6-tetrahydropyrimidin-5-yl)-3-(trideuteriomethyl)-1,2,4-oxadiazole has a molecular weight of 169.20 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4,5,6-tetrahydropyrimidin-5-yl)-3-(trideuteriomethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 58487565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).