N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine

C18H18FN5O — CID 75375186

IUPACN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine
SMILESCN(Cc1nnc(C2CC2)o1)C(c1ccc(F)cc1)c1ncccn1
InChIInChI=1S/C18H18FN5O/c1-24(11-15-22-23-18(25-15)13-3-4-13)16(17-20-9-2-10-21-17)12-5-7-14(19)8-6-12/h2,5-10,13,16H,3-4,11H2,1H3
InChIKeyJOVBIIHIFIIYHE-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.10
Rot. Bonds6

About N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine

N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine (PubChem CID 75375186) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine
PubChem CID75375186
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC NameN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine
SMILESCN(Cc1nnc(C2CC2)o1)C(c1ccc(F)cc1)c1ncccn1
InChIInChI=1S/C18H18FN5O/c1-24(11-15-22-23-18(25-15)13-3-4-13)16(17-20-9-2-10-21-17)12-5-7-14(19)8-6-12/h2,5-10,13,16H,3-4,11H2,1H3
InChIKeyJOVBIIHIFIIYHE-UHFFFAOYSA-N
XLogP3.10
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine?
The IUPAC name of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine (CID 75375186) is N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine.
What is the SMILES notation for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine?
The canonical SMILES for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine is CN(Cc1nnc(C2CC2)o1)C(c1ccc(F)cc1)c1ncccn1.
What is the InChIKey of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine?
The InChIKey is JOVBIIHIFIIYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c1-24(11-15-22-23-18(25-15)13-3-4-13)16(17-20-9-2-10-21-17)12-5-7-14(19)8-6-12/h2,5-10,13,16H,3-4,11H2,1H3.
What are the key properties of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine?
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine has a molecular weight of 339.37 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine is sourced from PubChem (CID 75375186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).