3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine

C17H19N7O — CID 56944031

IUPAC3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine
SMILESCN(C)c1nc(C2(c3ccc(-c4cnc(N)nc4)nc3)CCC2)no1
InChIInChI=1S/C17H19N7O/c1-24(2)16-22-14(23-25-16)17(6-3-7-17)12-4-5-13(19-10-12)11-8-20-15(18)21-9-11/h4-5,8-10H,3,6-7H2,1-2H3,(H2,18,20,21)
InChIKeyNFSSFVUKSIEQIF-UHFFFAOYSA-N
MW337.39 g/mol
LogP2.04
Rot. Bonds4

About 3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine

3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine (PubChem CID 56944031) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is 3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine
PubChem CID56944031
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine
SMILESCN(C)c1nc(C2(c3ccc(-c4cnc(N)nc4)nc3)CCC2)no1
InChIInChI=1S/C17H19N7O/c1-24(2)16-22-14(23-25-16)17(6-3-7-17)12-4-5-13(19-10-12)11-8-20-15(18)21-9-11/h4-5,8-10H,3,6-7H2,1-2H3,(H2,18,20,21)
InChIKeyNFSSFVUKSIEQIF-UHFFFAOYSA-N
XLogP2.04
TPSA106.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine (CID 56944031) is 3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine is CN(C)c1nc(C2(c3ccc(-c4cnc(N)nc4)nc3)CCC2)no1.
What is the InChIKey of 3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine?
The InChIKey is NFSSFVUKSIEQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c1-24(2)16-22-14(23-25-16)17(6-3-7-17)12-4-5-13(19-10-12)11-8-20-15(18)21-9-11/h4-5,8-10H,3,6-7H2,1-2H3,(H2,18,20,21).
What are the key properties of 3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine?
3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine has a molecular weight of 337.39 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 56944031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).