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

C18H18FN5O — CID 97219403

IUPAC(1R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine
SMILESCN(Cc1nnc(C2CC2)o1)[C@H](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/t16-/m1/s1
InChIKeyJOVBIIHIFIIYHE-MRXNPFEDSA-N
MW339.37 g/mol
LogP3.10
Rot. Bonds6

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

(1R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine (PubChem CID 97219403) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is (1R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine.

Molecular Properties

Compound Name(1R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine
PubChem CID97219403
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name(1R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine
SMILESCN(Cc1nnc(C2CC2)o1)[C@H](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/t16-/m1/s1
InChIKeyJOVBIIHIFIIYHE-MRXNPFEDSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine?
The IUPAC name of (1R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine (CID 97219403) is (1R)-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 (1R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine?
The canonical SMILES for (1R)-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@H](c1ccc(F)cc1)c1ncccn1.
What is the InChIKey of (1R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine?
The InChIKey is JOVBIIHIFIIYHE-MRXNPFEDSA-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/t16-/m1/s1.
What are the key properties of (1R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine?
(1R)-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 (1R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine is sourced from PubChem (CID 97219403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).