2-N-[[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]methyl]-1-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]propane-1,2-diamine

C24H24F2N6O — CID 153465122

IUPAC2-N-[[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]methyl]-1-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]propane-1,2-diamine
SMILESCc1nnc(-c2ccc(CNCC(C)NCc3ccc(-c4ncc(F)cn4)cc3F)cc2)o1
InChIInChI=1S/C24H24F2N6O/c1-15(10-27-11-17-3-5-18(6-4-17)24-32-31-16(2)33-24)28-12-20-8-7-19(9-22(20)26)23-29-13-21(25)14-30-23/h3-9,13-15,27-28H,10-12H2,1-2H3
InChIKeyPTEWRXNORXIYSV-UHFFFAOYSA-N
MW450.49 g/mol
LogP4.05
Rot. Bonds9

About 2-N-[[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]methyl]-1-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]propane-1,2-diamine

2-N-[[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]methyl]-1-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]propane-1,2-diamine (PubChem CID 153465122) has the molecular formula C24H24F2N6O and a molecular weight of 450.49 g/mol. Its IUPAC name is 2-N-[[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]methyl]-1-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]methyl]-1-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]propane-1,2-diamine
PubChem CID153465122
Molecular FormulaC24H24F2N6O
Molecular Weight450.49 g/mol
Exact Mass450.20
IUPAC Name2-N-[[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]methyl]-1-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]propane-1,2-diamine
SMILESCc1nnc(-c2ccc(CNCC(C)NCc3ccc(-c4ncc(F)cn4)cc3F)cc2)o1
InChIInChI=1S/C24H24F2N6O/c1-15(10-27-11-17-3-5-18(6-4-17)24-32-31-16(2)33-24)28-12-20-8-7-19(9-22(20)26)23-29-13-21(25)14-30-23/h3-9,13-15,27-28H,10-12H2,1-2H3
InChIKeyPTEWRXNORXIYSV-UHFFFAOYSA-N
XLogP4.05
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-[[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]methyl]-1-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]propane-1,2-diamine with MolForge

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Related Compounds

(2S)-1-N-[[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]methyl]propane-1,2-diamine
CID 175073722
(2S)-2-N-[[4-(5-fluoropyrimidin-2-yl)phenyl]methyl]-1-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]propane-1,2-diamine
CID 121398055
2-[(2,4-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazole
CID 90396878
N-[(2,4-difluorophenyl)methyl]butan-2-amine
CID 43177291
2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanamine
CID 82469844
N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 65181360
5-[3-[(2,4-difluorophenyl)methylamino]butyl]pyridine-3-carboxamide
CID 173160059
4-[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]butane-1,2-diamine
CID 166745084
N-[(2,4-difluorophenyl)methyl]pentan-2-amine
CID 43177713
N-[1-(5-chloro-2-fluorophenyl)cyclobutyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-amine
CID 163813487
1-[2-(3-fluoro-4-methylphenyl)pyrimidin-5-yl]propan-2-ol
CID 20663049
1-(2,4-difluorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 43221741

Frequently Asked Questions

What is the IUPAC name of 2-N-[[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]methyl]-1-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]propane-1,2-diamine?
The IUPAC name of 2-N-[[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]methyl]-1-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]propane-1,2-diamine (CID 153465122) is 2-N-[[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]methyl]-1-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]methyl]-1-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]propane-1,2-diamine?
The canonical SMILES for 2-N-[[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]methyl]-1-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]propane-1,2-diamine is Cc1nnc(-c2ccc(CNCC(C)NCc3ccc(-c4ncc(F)cn4)cc3F)cc2)o1.
What is the InChIKey of 2-N-[[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]methyl]-1-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]propane-1,2-diamine?
The InChIKey is PTEWRXNORXIYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N6O/c1-15(10-27-11-17-3-5-18(6-4-17)24-32-31-16(2)33-24)28-12-20-8-7-19(9-22(20)26)23-29-13-21(25)14-30-23/h3-9,13-15,27-28H,10-12H2,1-2H3.
What are the key properties of 2-N-[[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]methyl]-1-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]propane-1,2-diamine?
2-N-[[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]methyl]-1-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]propane-1,2-diamine has a molecular weight of 450.49 g/mol, XLogP of 4.05, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]methyl]-1-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]propane-1,2-diamine is sourced from PubChem (CID 153465122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).