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

C11H15FN6O — CID 106424353

IUPAC2-N-ethyl-5-fluoro-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NCCc2nc(C)no2)n1
InChIInChI=1S/C11H15FN6O/c1-3-13-11-15-6-8(12)10(17-11)14-5-4-9-16-7(2)18-19-9/h6H,3-5H2,1-2H3,(H2,13,14,15,17)
InChIKeySFCKMQKCWGDLHM-UHFFFAOYSA-N
MW266.28 g/mol
LogP1.39
Rot. Bonds6

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

2-N-ethyl-5-fluoro-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 106424353) has the molecular formula C11H15FN6O and a molecular weight of 266.28 g/mol. Its IUPAC name is 2-N-ethyl-5-fluoro-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-5-fluoro-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID106424353
Molecular FormulaC11H15FN6O
Molecular Weight266.28 g/mol
Exact Mass266.13
IUPAC Name2-N-ethyl-5-fluoro-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NCCc2nc(C)no2)n1
InChIInChI=1S/C11H15FN6O/c1-3-13-11-15-6-8(12)10(17-11)14-5-4-9-16-7(2)18-19-9/h6H,3-5H2,1-2H3,(H2,13,14,15,17)
InChIKeySFCKMQKCWGDLHM-UHFFFAOYSA-N
XLogP1.39
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-ethyl-3,5-difluoro-6-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,6-diamine
CID 106424365
6-N-ethyl-5-methyl-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-4,6-diamine
CID 106424403
5-chloro-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 75377092
6-ethyl-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 103880030
2-N-ethyl-5-fluoro-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 80771381
6-N-methyl-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 106424383
4-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80772301
2-N-ethyl-5-fluoro-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 106262703
4-N-(2,2-dimethylbutyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 103466679
3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]propane-1-sulfonamide
CID 80818913
2-N-ethyl-5-fluoro-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine
CID 81174335
5-ethyl-6-hydrazinyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 106424754

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-5-fluoro-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-5-fluoro-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-diamine (CID 106424353) is 2-N-ethyl-5-fluoro-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-5-fluoro-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-5-fluoro-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-diamine is CCNc1ncc(F)c(NCCc2nc(C)no2)n1.
What is the InChIKey of 2-N-ethyl-5-fluoro-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is SFCKMQKCWGDLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN6O/c1-3-13-11-15-6-8(12)10(17-11)14-5-4-9-16-7(2)18-19-9/h6H,3-5H2,1-2H3,(H2,13,14,15,17).
What are the key properties of 2-N-ethyl-5-fluoro-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-diamine?
2-N-ethyl-5-fluoro-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 266.28 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-5-fluoro-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 106424353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).