2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-diamine

C8H10N6O — CID 106411547

IUPAC2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-diamine
SMILESNc1ccnc(NCCc2ncno2)n1
InChIInChI=1S/C8H10N6O/c9-6-1-3-10-8(14-6)11-4-2-7-12-5-13-15-7/h1,3,5H,2,4H2,(H3,9,10,11,14)
InChIKeyXXUUCGWEYNWUPZ-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.10
Rot. Bonds4

About 2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-diamine

2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 106411547) has the molecular formula C8H10N6O and a molecular weight of 206.21 g/mol. Its IUPAC name is 2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID106411547
Molecular FormulaC8H10N6O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-diamine
SMILESNc1ccnc(NCCc2ncno2)n1
InChIInChI=1S/C8H10N6O/c9-6-1-3-10-8(14-6)11-4-2-7-12-5-13-15-7/h1,3,5H,2,4H2,(H3,9,10,11,14)
InChIKeyXXUUCGWEYNWUPZ-UHFFFAOYSA-N
XLogP0.10
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridazine-3,6-diamine
CID 106411541
2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,3-diamine
CID 106393561
2-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 115978124
2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,5-diamine
CID 106393639
5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 106412755
2-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 83695203
6-methoxy-2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,5-diamine
CID 114183079
5-bromo-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine
CID 103746110
5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoline-5,8-diamine
CID 106393652
5-methyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 106412100
4-hydrazinyl-6-imidazol-1-yl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3,5-triazin-2-amine
CID 106412483
2-N-(3-methylsulfanylpropyl)pyrimidine-2,4-diamine
CID 116795959

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-diamine (CID 106411547) is 2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-diamine is Nc1ccnc(NCCc2ncno2)n1.
What is the InChIKey of 2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is XXUUCGWEYNWUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O/c9-6-1-3-10-8(14-6)11-4-2-7-12-5-13-15-7/h1,3,5H,2,4H2,(H3,9,10,11,14).
What are the key properties of 2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-diamine?
2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 206.21 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 106411547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).