5-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine

C10H12N6O — CID 163183305

IUPAC5-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
SMILESNc1ncncc1-c1noc([C@H]2CCCN2)n1
InChIInChI=1S/C10H12N6O/c11-8-6(4-12-5-14-8)9-15-10(17-16-9)7-2-1-3-13-7/h4-5,7,13H,1-3H2,(H2,11,12,14)/t7-/m1/s1
InChIKeyZZXGPXHOIOCZQR-SSDOTTSWSA-N
MW232.25 g/mol
LogP0.53
Rot. Bonds2

About 5-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine

5-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine (PubChem CID 163183305) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is 5-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
PubChem CID163183305
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name5-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
SMILESNc1ncncc1-c1noc([C@H]2CCCN2)n1
InChIInChI=1S/C10H12N6O/c11-8-6(4-12-5-14-8)9-15-10(17-16-9)7-2-1-3-13-7/h4-5,7,13H,1-3H2,(H2,11,12,14)/t7-/m1/s1
InChIKeyZZXGPXHOIOCZQR-SSDOTTSWSA-N
XLogP0.53
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-pyrimidin-4-yl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900783
5-piperidin-2-yl-3-pyrimidin-4-yl-1,2,4-oxadiazole
CID 115528630
5-[5-[(2R)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
CID 162799195
5-[5-[1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
CID 75131431
3-(1H-imidazol-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 136746255
3-(5-bromo-2-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900829
3-(4-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 3998388
3-(3,5-dimethyl-2-pyridinyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 113365456
3-(2-methoxyphenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93093295
3-(2-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43102485
3-(4-bromo-2-methylphenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103083276
3-(2-bromo-4-methylphenyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 114015433

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine?
The IUPAC name of 5-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine (CID 163183305) is 5-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine?
The canonical SMILES for 5-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine is Nc1ncncc1-c1noc([C@H]2CCCN2)n1.
What is the InChIKey of 5-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine?
The InChIKey is ZZXGPXHOIOCZQR-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12N6O/c11-8-6(4-12-5-14-8)9-15-10(17-16-9)7-2-1-3-13-7/h4-5,7,13H,1-3H2,(H2,11,12,14)/t7-/m1/s1.
What are the key properties of 5-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine?
5-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine has a molecular weight of 232.25 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 163183305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).