N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine

C14H16N6O2 — CID 138382185

IUPACN-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
SMILESc1nc(NCCc2noc(C3CCCO3)n2)c2[nH]ccc2n1
InChIInChI=1S/C14H16N6O2/c1-2-10(21-7-1)14-19-11(20-22-14)4-6-16-13-12-9(3-5-15-12)17-8-18-13/h3,5,8,10,15H,1-2,4,6-7H2,(H,16,17,18)
InChIKeySUWJSQFFAXOKSL-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.85
Rot. Bonds5

About N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine

N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 138382185) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID138382185
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC NameN-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
SMILESc1nc(NCCc2noc(C3CCCO3)n2)c2[nH]ccc2n1
InChIInChI=1S/C14H16N6O2/c1-2-10(21-7-1)14-19-11(20-22-14)4-6-16-13-12-9(3-5-15-12)17-8-18-13/h3,5,8,10,15H,1-2,4,6-7H2,(H,16,17,18)
InChIKeySUWJSQFFAXOKSL-UHFFFAOYSA-N
XLogP1.85
TPSA101.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5,6-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 97200942
N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 138385058
4-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 72940735
1,3-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97436789
2-(benzotriazol-2-yl)-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
CID 77092880
3-hydroxy-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]pyridine-2-carboxamide
CID 99933303
N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-imidazole-5-carboxamide
CID 90648078
4-chloro-N-[2-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 126434875
3-methyl-4-oxo-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phthalazine-1-carboxamide
CID 86284289
3-(1H-indol-3-yl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]propanamide
CID 99945911
6-cyano-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-3-carboxamide
CID 90652722
N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-thiophen-2-ylacetamide
CID 99935158

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine (CID 138382185) is N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine is c1nc(NCCc2noc(C3CCCO3)n2)c2[nH]ccc2n1.
What is the InChIKey of N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is SUWJSQFFAXOKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2/c1-2-10(21-7-1)14-19-11(20-22-14)4-6-16-13-12-9(3-5-15-12)17-8-18-13/h3,5,8,10,15H,1-2,4,6-7H2,(H,16,17,18).
What are the key properties of N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 300.32 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 138382185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).