2-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine

C14H19FN6O — CID 137338877

IUPAC2-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nc(NCCc2noc(C3CCC3)n2)ncc1F
InChIInChI=1S/C14H19FN6O/c1-21(2)12-10(15)8-17-14(19-12)16-7-6-11-18-13(22-20-11)9-4-3-5-9/h8-9H,3-7H2,1-2H3,(H,16,17,19)
InChIKeySAOLDTJVKHJYED-UHFFFAOYSA-N
MW306.35 g/mol
LogP1.99
Rot. Bonds6

About 2-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine

2-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 137338877) has the molecular formula C14H19FN6O and a molecular weight of 306.35 g/mol. Its IUPAC name is 2-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID137338877
Molecular FormulaC14H19FN6O
Molecular Weight306.35 g/mol
Exact Mass306.16
IUPAC Name2-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nc(NCCc2noc(C3CCC3)n2)ncc1F
InChIInChI=1S/C14H19FN6O/c1-21(2)12-10(15)8-17-14(19-12)16-7-6-11-18-13(22-20-11)9-4-3-5-9/h8-9H,3-7H2,1-2H3,(H,16,17,19)
InChIKeySAOLDTJVKHJYED-UHFFFAOYSA-N
XLogP1.99
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine (CID 137338877) is 2-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine is CN(C)c1nc(NCCc2noc(C3CCC3)n2)ncc1F.
What is the InChIKey of 2-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is SAOLDTJVKHJYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN6O/c1-21(2)12-10(15)8-17-14(19-12)16-7-6-11-18-13(22-20-11)9-4-3-5-9/h8-9H,3-7H2,1-2H3,(H,16,17,19).
What are the key properties of 2-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine?
2-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 306.35 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 137338877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).